小分子和化合物库
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精氨酸-甘氨酸-天冬氨酸-丝氨酸CAS号: 91037-65-9分子式: C15H27N7O8 分子量: 433.42IUPAC Name: (3S)-3-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-4-oxobutanoic acidSMILES: C(CC(C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)O)N)CN=C(N)NInChIKey: NNRFRJQMBSBXGO-CIUDSAMLSA-NInChI: 1S/C15H27N7O8/c16-7(2-1-3-19-15(17)18)12(27)20-5-10(24)21-8(4-11(25)26)13(28)22-9(6-23)14(29)30/h7-9,23H,1-6,16H2,(H,20,27)(H,21,24)(H,22,28)(H,25,26)(H,29,30)(H4,17,18,19)/t7-,8-,9-/m0/s1
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Adrenorphin,激动剂CAS号: 88866-92-6 Compound CID : 71308699分子式: C44H68N14O10S 分子量: 985.16IUPAC Name: See moreSMILES: CC(C)C(C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCSC)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(CC2=CC=C(C=C2)O)NInChIKey: ZBRXWGQCHSFAHM-MWSMAVIUSA-NInChI: See more
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萘荧光素CAS号: 61419-02-1分子式: C28H16O5 分子量: 432.42IUPAC Name: 7',19'-dihydroxyspiro[2-benzofuran-3,13'-2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene]-1-oneSMILES: C1=CC=C2C(=C1)C(=O)OC23C4=C(C5=C(C=C4)C=C(C=C5)O)OC6=C3C=CC7=C6C=CC(=C7)OInChIKey: IXQIUDNVFVTQLJ-UHFFFAOYSA-NInChI: 1S/C28H16O5/c29-17-7-9-19-15(13-17)5-11-23-25(19)32-26-20-10-8-18(30)14-16(20)6-12-24(26)28(23)22-4-2-1-3-21(22)27(31)33-28/h1-14,29-30H
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疣孢青霉原CAS号: 12771-72-1 Compound CID : 13887805分子式: C27H33N3O7 分子量: 511.57IUPAC Name: (9R,14S,17S,23R,24S)-23,24-dihydroxy-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-enyl)-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.02,7.08,25.015,23.017,21]pentacosa-1(25),2(7),3,5-tetraene-16,22-dioneSMILES: CC(=CC1N2C3=C(C=CC(=C3)OC)C4=C2C(CC(OO1)(C)C)N5C(=O)C6CCCN6C(=O)C5(C4O)O)CInChIKey: LRXYHMMJJCTUMY-GWXUGYLUSA-NInChI: See more
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胆固醇氯化物分子式: C27H45Cl 分子量: 405.11IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-3-chloro-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthreneSMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)Cl)C)CInChIKey: OTVRYZXVVMZHHW-DPAQBDIFSA-NInChI: 1S/C27H45Cl/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
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盐酸西维美林半水合物CAS号: 153504-70-2 Compound CID : 71307519分子式: C10H17NOS·HCl·1/2H2O 分子量: 199.31 (anhydrous free base baIUPAC Name: (5R)-2-methylspiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane];hydrate;dihydrochlorideSMILES: CC1OC2(CN3CCC2CC3)CS1.CC1OC2(CN3CCC2CC3)CS1.O.Cl.ClInChIKey: ZSTLCHCDLIUXJE-MMPAUJBDSA-NInChI: 1S/2C10H17NOS.2ClH.H2O/c2*1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11;;;/h2*8-9H,2-7H2,1H3;2*1H;1H2/t2*8?,10-;;;/m11.../s1
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蜕皮激素CAS号: 5289-74-7分子式: C27H44O7 分子量: 480.63IUPAC Name: (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-oneSMILES: CC12CCC3C(=CC(=O)C4C3(CC(C(C4)O)O)C)C1(CCC2C(C)(C(CCC(C)(C)O)O)O)OInChIKey: NKDFYOWSKOHCCO-YPVLXUMRSA-NInChI: See more
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LEP(116-130)(小鼠)CAS号: 258276-95-8 Compound CID : 90471193分子式: C64H109N19O24S 分子量: 1560.73IUPAC Name: See moreSMILES: CC(C)CC(C(=O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)N)NC(=O)CNC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CCC(=O)N)NC(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CS)NC(=O)C(CO)NInChIKey: YEHDWBRMEXDYLT-RDEOYNLOSA-NInChI: See more
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