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Lapaquistat AcetateCAS号 : 189060-13-7 Compound CID : 9874248分子式: C33H41ClN2O9 分子量: 645.14IUPAC Name: 2-[1-[2-[(3R,5S)-1-(3-acetyloxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]piperidin-4-yl]acetic acidSMILES: CC(=O)OCC(C)(C)CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)N3CCC(CC3)CC(=O)O)C4=C(C(=CC=C4)OC)OCInChIKey: CMLUGNQVANVZHY-POURPWNDSA-NInChI: InChI=1S/C33H41ClN2O9/c1-20(37)44-19-33(2,3)18-36-25-10-9-22(34)16-24(25)30(23-7-6-8-26(42-4)31(23)43-5)45-27(32(36)41)17-28(38)35-13-11-21(12-14-35)15-29(39)40/h6-10,16,21,27,30H,11-15,17-19H2,1-5H3,(H,39,40)/t27-,30-/m1/s1
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[(5-Chloro-pyridin-2-ylamino)-phosphono-methyl]-phosphonic acidCAS号 : 70010-82-1 Compound CID : 405389分子式: C6H9ClN2O6P2 分子量: 302.54IUPAC Name: [[(5-chloropyridin-2-yl)amino]-phosphonomethyl]phosphonic acidSMILES: C1=CC(=NC=C1Cl)NC(P(=O)(O)O)P(=O)(O)OInChIKey: BNMYZGAZFGNKTH-UHFFFAOYSA-NInChI: InChI=1S/C6H9ClN2O6P2/c7-4-1-2-5(8-3-4)9-6(16(10,11)12)17(13,14)15/h1-3,6H,(H,8,9)(H2,10,11,12)(H2,13,14,15)
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NB-598CAS号 : 131060-14-5 Compound CID : 6443223分子式: C27H31NOS2 分子量: 449.67IUPAC Name: (E)-N-ethyl-6,6-dimethyl-N-[[3-[(4-thiophen-3-ylthiophen-2-yl)methoxy]phenyl]methyl]hept-2-en-4-yn-1-amineSMILES: CCN(CC=CC#CC(C)(C)C)CC1=CC(=CC=C1)OCC2=CC(=CS2)C3=CSC=C3InChIKey: KIRGLCXNEVICOG-SOFGYWHQSA-NInChI: InChI=1S/C27H31NOS2/c1-5-28(14-8-6-7-13-27(2,3)4)18-22-10-9-11-25(16-22)29-19-26-17-24(21-31-26)23-12-15-30-20-23/h6,8-12,15-17,20-21H,5,14,18-19H2,1-4H3/b8-6+
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伊班膦酸CAS号 : 114084-78-5 Compound CID : 60852分子式: C9H23NO7P2 分子量: 319.23IUPAC Name: [1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acidSMILES: CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)OInChIKey: MPBVHIBUJCELCL-UHFFFAOYSA-NInChI: InChI=1S/C9H23NO7P2/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17)
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萨拉哥酸ACAS号 : 142561-96-4 Compound CID : 6438355分子式: C35H46O14 分子量: 690.73IUPAC Name: (1S,3S,4S,5R,6R,7R)-1-[(4S,5R)-4-acetyloxy-5-methyl-3-methylidene-6-phenylhexyl]-6-[(E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy-4,7-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acidSMILES: CCC(C)CC(C)C=CC(=O)OC1C(C2(OC(C(C1(O2)C(=O)O)(C(=O)O)O)C(=O)O)CCC(=C)C(C(C)CC3=CC=CC=C3)OC(=O)C)OInChIKey: DFKDOZMCHOGOBR-NCSQYGPNSA-NInChI: InChI=1S/C35H46O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-14,19-20,22,26-29,38,45H,4,7,15-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/b14-13+/t19-,20+,22+,26+,27+,28+,29+,33-,34+,35-/m0/s1
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(2S,4R,5S,6S)-2-[(4S,5R)-4-(acetyloxy)-5-benzyl-3-methylidenehexyl]-2-carbamoyl-4-({[(2E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy}methyl)-5-hydroxy-1,3-dioxane-4,5,6-tricarboxylic acidCompound CID : 44373472IUPAC Name: (2S,4R,5S,6S)-2-[(4S,5R)-4-(acetyloxy)-5-benzyl-3-methylidenehexyl]-2-carbamoyl-4-({[(2E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy}methyl)-5-hydroxy-1,3-dioxane-4,5,6-tricarboxylic acidSMILES: CC[C@@H](C[C@@H](/C=C/C(=O)OC[C@]1(O[C@](CCC(=C)[C@H]([C@@H](Cc2ccccc2)C)OC(=O)C)(O[C@@H]([C@@]1(O)C(=O)O)C(=O)O)C(=O)N)C(=O)O)C)CInChIKey: TWYYFYNJOJGNFP-CUXYNZQBSA-NInChI: InChI=1S/C35H47NO14/c1-7-20(2)17-21(3)13-14-26(38)47-19-33(31(42)43)35(46,32(44)45)28(29(39)40)49-34(50-33,30(36)41)16-15-22(4)27(48-24(6)37)23(5)18-25-11-9-8-10-12-25/h8-14,20-21,23,27-28,46H,4,7,15-19H2,1-3,5-6H3,(H2,36,41)(H,39,40)(H,42,43)(H,44,45)/b14-13+/t20-,21+,23+,27+,28+,33-,34-,35+/m0/s1
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(E)-N-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-N-methyl-N'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]methenimidamideCompound CID : 10409462IUPAC Name: (E)-N-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-N-methyl-N'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]methenimidamideSMILES: CN(CC/C=C(/CCC=C(C)C)\C)/C=N/C/C=C(/CC/C=C(/CCC=C(C)C)\C)\CInChIKey: PYSOMVKWLNTIIA-IMGWONPXSA-NInChI: InChI=1S/C28H48N2/c1-24(2)13-9-15-26(5)17-11-18-28(7)20-21-29-23-30(8)22-12-19-27(6)16-10-14-25(3)4/h13-14,17,19-20,23H,9-12,15-16,18,21-22H2,1-8H3/b26-17+,27-19+,28-20+,29-23+
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(E)-ethylidene({[3-(prop-2-en-1-yl)-4-{3-[(propan-2-yl)amino]propoxy}phenyl]methoxy})amineCompound CID : 44354318IUPAC Name: (E)-ethylidene({[3-(prop-2-en-1-yl)-4-{3-[(propan-2-yl)amino]propoxy}phenyl]methoxy})amineSMILES: C=CCc1cc(CO/N=C/C)ccc1OCCCNC(C)CInChIKey: RLGKAOYAKHPRMW-CGOBSMCZSA-NInChI: InChI=1S/C18H28N2O2/c1-5-8-17-13-16(14-22-20-6-2)9-10-18(17)21-12-7-11-19-15(3)4/h5-6,9-10,13,15,19H,1,7-8,11-12,14H2,2-4H3/b20-6+
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(1-phosphonato-4-{4-[4-(trifluoromethyl)phenyl]phenyl}butyl)phosphonateCompound CID : 56947011IUPAC Name: (1-phosphonato-4-{4-[4-(trifluoromethyl)phenyl]phenyl}butyl)phosphonateSMILES: FC(c1ccc(cc1)c1ccc(cc1)CCCC(P(=O)([O-])[O-])P(=O)([O-])[O-])(F)FInChIKey: UPZLJSDZIBONGH-UHFFFAOYSA-JInChI: InChI=1S/C17H19F3O6P2/c18-17(19,20)15-10-8-14(9-11-15)13-6-4-12(5-7-13)2-1-3-16(27(21,22)23)28(24,25)26/h4-11,16H,1-3H2,(H2,21,22,23)(H2,24,25,26)/p-4
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(1S,2S,3S,4S)-3,4-bis({butyl[(4-phenoxyphenyl)methyl]carbamoyl})cyclobutane-1,2-dicarboxylic acidCompound CID : 10699948IUPAC Name: (1S,2S,3S,4S)-3,4-bis({butyl[(4-phenoxyphenyl)methyl]carbamoyl})cyclobutane-1,2-dicarboxylic acidSMILES: CCCCN(C(=O)[C@@H]1[C@H](C(=O)O)[C@H]([C@H]1C(=O)N(Cc1ccc(cc1)Oc1ccccc1)CCCC)C(=O)O)Cc1ccc(cc1)Oc1ccccc1InChIKey: GNPHAOQLHRZODS-ZQWQDMLBSA-NInChI: InChI=1S/C42H46N2O8/c1-3-5-25-43(27-29-17-21-33(22-18-29)51-31-13-9-7-10-14-31)39(45)35-36(38(42(49)50)37(35)41(47)48)40(46)44(26-6-4-2)28-30-19-23-34(24-20-30)52-32-15-11-8-12-16-32/h7-24,35-38H,3-6,25-28H2,1-2H3,(H,47,48)(H,49,50)/t35-,36-,37-,38-/m0/s1
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(1S,2S,3S,4S)-3,4-bis[(2-methylpropyl)[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,2-dicarboxylic acidCompound CID : 10818542IUPAC Name: (1S,2S,3S,4S)-3,4-bis[(2-methylpropyl)[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,2-dicarboxylic acidSMILES: CC(CN(C(=O)[C@@H]1[C@H](C(=O)O)[C@H]([C@H]1C(=O)N(Cc1ccc(cc1)Oc1ccccc1)CC(C)C)C(=O)O)Cc1ccc(cc1)Oc1ccccc1)CInChIKey: ZXCUOCHXNYWBBG-ZQWQDMLBSA-NInChI: InChI=1S/C42H46N2O8/c1-27(2)23-43(25-29-15-19-33(20-16-29)51-31-11-7-5-8-12-31)39(45)35-36(38(42(49)50)37(35)41(47)48)40(46)44(24-28(3)4)26-30-17-21-34(22-18-30)52-32-13-9-6-10-14-32/h5-22,27-28,35-38H,23-26H2,1-4H3,(H,47,48)(H,49,50)/t35-,36-,37-,38-/m0/s1
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(1S,2S,3S,5R)-1-(carboxymethyl)-3,5-bis({[(4-phenoxyphenyl)methyl](propyl)carbamoyl})cyclopentane-1,2-dicarboxylic acidCompound CID : 44382842IUPAC Name: (1S,2S,3S,5R)-1-(carboxymethyl)-3,5-bis({[(4-phenoxyphenyl)methyl](propyl)carbamoyl})cyclopentane-1,2-dicarboxylic acidSMILES: CCCN(C(=O)[C@H]1C[C@H]([C@]([C@H]1C(=O)O)(CC(=O)O)C(=O)O)C(=O)N(Cc1ccc(cc1)Oc1ccccc1)CCC)Cc1ccc(cc1)Oc1ccccc1InChIKey: SZUVGFMDDVSKSI-WIFOCOSTSA-NInChI: InChI=1S/C43H46N2O10/c1-3-23-44(27-29-15-19-33(20-16-29)54-31-11-7-5-8-12-31)39(48)35-25-36(43(42(52)53,26-37(46)47)38(35)41(50)51)40(49)45(24-4-2)28-30-17-21-34(22-18-30)55-32-13-9-6-10-14-32/h5-22,35-36,38H,3-4,23-28H2,1-2H3,(H,46,47)(H,50,51)(H,52,53)/t35-,36-,38+,43-/m0/s1
![[(5-Chloro-pyridin-2-ylamino)-phosphono-methyl]-phosphonic acid](https://mgt-cn248-dev.env.aladdin-e.com/media/catalog/product/placeholder/default/small.jpg)
![(2S,4R,5S,6S)-2-[(4S,5R)-4-(acetyloxy)-5-benzyl-3-methylidenehexyl]-2-carbamoyl-4-({[(2E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy}methyl)-5-hydroxy-1,3-dioxane-4,5,6-tricarboxylic acid](https://mgt-cn248-dev.env.aladdin-e.com/media/catalog/product/cache/ad749d2b3d22cf8c01ccf166d5754002/S/6/S608761.png)
![(E)-N-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-N-methyl-N'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]methenimidamide](https://mgt-cn248-dev.env.aladdin-e.com/media/catalog/product/cache/ad749d2b3d22cf8c01ccf166d5754002/E/6/E608901.png)
![(E)-ethylidene({[3-(prop-2-en-1-yl)-4-{3-[(propan-2-yl)amino]propoxy}phenyl]methoxy})amine](https://mgt-cn248-dev.env.aladdin-e.com/media/catalog/product/cache/ad749d2b3d22cf8c01ccf166d5754002/E/6/E609035.png)
![(1-phosphonato-4-{4-[4-(trifluoromethyl)phenyl]phenyl}butyl)phosphonate](https://mgt-cn248-dev.env.aladdin-e.com/media/catalog/product/cache/ad749d2b3d22cf8c01ccf166d5754002/P/6/P609188.png)
![(1S,2S,3S,4S)-3,4-bis({butyl[(4-phenoxyphenyl)methyl]carbamoyl})cyclobutane-1,2-dicarboxylic acid](https://mgt-cn248-dev.env.aladdin-e.com/media/catalog/product/cache/ad749d2b3d22cf8c01ccf166d5754002/S/6/S609336.png)
![(1S,2S,3S,4S)-3,4-bis[(2-methylpropyl)[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid](https://mgt-cn248-dev.env.aladdin-e.com/media/catalog/product/cache/ad749d2b3d22cf8c01ccf166d5754002/S/6/S609339.png)
carbamoyl})cyclopentane-1,2-dicarboxylic acid](https://mgt-cn248-dev.env.aladdin-e.com/media/catalog/product/cache/ad749d2b3d22cf8c01ccf166d5754002/S/6/S608732.png)