小分子和化合物库

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显示第145156个,产品总数242

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  1. 光溜海绵素C
    CAS号: 88903-69-9        Compound CID : 5311502
    分子式: C28H50N2O2        分子量: 446.72
    IUPAC Name: (1R,8S,10R,15S,22S,29R)-9,30-dioxa-11,25-diazapentacyclo[20.6.2.28,11.010,15.025,29]dotriacontane
    SMILES: C1CCCC2CCN3CCCC(C3O2)CCCCCCC4CCN5CCCC(C5O4)CC1
    InChIKey: PQYOPBRFUUEHRC-MUJQFDPKSA-N
    InChI: 1S/C28H50N2O2/c1-3-7-15-25-17-21-30-20-10-14-24(28(30)31-25)12-6-2-4-8-16-26-18-22-29-19-9-13-23(11-5-1)27(29)32-26/h23-28H,1-22H2/t23-,24+,25-,26-,27+,28+/m0/s1
  2. 三半乳糖醛酸
      规格或纯度 :
    • ≥90%
    CAS号: 6037-45-2        Compound CID : 3081397
    分子式: C18H26O19        分子量: 546.39
    IUPAC Name: (2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-carboxy-6-[(1S,2R,3R,4R)-1-carboxy-1,3,4-trihydroxy-5-oxopentan-2-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
    SMILES: C(=O)C(C(C(C(C(=O)O)O)OC1C(C(C(C(O1)C(=O)O)OC2C(C(C(C(O2)C(=O)O)O)O)O)O)O)O)O
    InChIKey: FMNDXLWVYMQMHF-XKLWFNJZSA-N
    InChI: 1S/C18H26O19/c19-1-2(20)3(21)10(9(27)14(28)29)34-18-8(26)6(24)11(13(37-18)16(32)33)35-17-7(25)4(22)5(23)12(36-17)15(30)31/h1-13,17-18,20-27H,(H,28,29)(H,30,31)(H,32,33)/t2-,3+,4-,5+,6+,7+,8+,9-,10+,11See more
  3. 氯化天竺葵色素苷
      规格或纯度 :
    • ≥90%
    CAS号: 17334-58-6        EC号: 241-360-0        Compound CID : 167642
    分子式: C27H31ClO15        分子量: 630.98
    IUPAC Name: (2S,3R,4S,5S,6R)-2-[7-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride
    SMILES: C1=CC(=CC=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O.[Cl-]
    InChIKey: DIRROHKULXIUCB-DHJOXOLYSA-N
    InChI: 1S/C27H30O15.ClH/c28-8-17-19(32)21(34)23(36)26(41-17)39-15-6-12(31)5-14-13(15)7-16(25(38-14)10-1-3-11(30)4-2-10)40-27-24(37)22(35)20(33)18(9-29)42-27;/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31);1H/t17-,See more
  4. 寡霉素
      规格或纯度 :
    • ≥90%
    CAS号: 1404-19-9        EC号: MFCD01779388
    分子式: C45H74O11        分子量: 791.07(for Oligomycin A)
    IUPAC Name: (1S,4E,5'R,6R,6'R,7S,8R,10S,11S,12R,14S,15R,16S,18E,20E,22S,25R,27S,28R,29S)-22-ethyl-7,11,14,15-tetrahydroxy-6'-[(2S)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethylspiro[2,26-dioxabicyclo[23.3.See more
    SMILES: CCC1CCC2C(C(C(C3(O2)CCC(C(O3)CC(C)O)C)C)OC(=O)C=CC(C(C(C(=O)C(C(C(C(=O)C(C(C(CC=CC=C1)C)O)(C)O)C)O)C)C)O)C)C
    InChIKey: MNULEGDCPYONBU-WMBHJXFZSA-N
    InChI: 1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25See more
  5. 6-硫代磷酸
      规格或纯度 :
    • ≥90%
    CAS号: 53-83-8        Compound CID : 3034391
    分子式: C10H13N4O7PS        分子量: 364.27
    IUPAC Name: [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
    SMILES: C1=NC(=S)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O
    InChIKey: ZKRFOXLVOKTUTA-KQYNXXCUSA-N
    InChI: 1S/C10H13N4O7PS/c15-6-4(1-20-22(17,18)19)21-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)23/h2-4,6-7,10,15-16H,1H2,(H,11,12,23)(H2,17,18,19)/t4-,6-,7-,10-/m1/s1
  6. AH23848半钙盐
    CAS号: 81496-19-7
    分子式: C29H34NO5 · 0.5 Ca        分子量: 496.62
    IUPAC Name: (Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enoic acid
    SMILES: C1COCCN1C2C(C(CC2=O)OCC3=CC=C(C=C3)C4=CC=CC=C4)CCC=CCCC(=O)O
    InChIKey: IOFUFYLETVNNRF-OSAZKUMMSA-N
    InChI: 1S/C29H35NO5/c31-26-20-27(35-21-22-12-14-24(15-13-22)23-8-4-3-5-9-23)25(10-6-1-2-7-11-28(32)33)29(26)30-16-18-34-19-17-30/h1-5,8-9,12-15,25,27,29H,6-7,10-11,16-21H2,(H,32,33)/b2-1-/t25-,27-,29+/m0/s1
  7. Calpain Inhibitor XII
      规格或纯度 :
    • ≥90%
    CAS号: 181769-57-3
    分子式: C26H34N4O5        分子量: 482.57
    IUPAC Name: benzyl N-[1-[[1,2-dioxo-1-(pyridin-2-ylmethylamino)hexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
    SMILES: CCCC(C(=O)C(=O)NCC1=CC=CC=N1)NC(=O)C(CC(C)C)NC(=O)OCC2=CC=CC=C2
    InChIKey: PLVWMBFPIAQRHK-UHFFFAOYSA-N
    InChI: 1S/C26H34N4O5/c1-4-10-21(23(31)25(33)28-16-20-13-8-9-14-27-20)29-24(32)22(15-18(2)3)30-26(34)35-17-19-11-6-5-7-12-19/h5-9,11-14,18,21-22H,4,10,15-17H2,1-3H3,(H,28,33)(H,29,32)(H,30,34)
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