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HIT213841056
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HIT213841056
  • HIT ID:HIT213841056
  • Cas No:
  • 常用名:Cys-mcMMAD
  • IUPAC:(2R)-2-amino-3-{[1-(5-{[(1S)-1-{[(1S)-1-{[(3R,4S,5S)-3-methoxy-1-{2-[(1R,2R)-1-methoxy-2-methyl-2-{[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]carbamoyl}ethyl]pyrrolidin-1-yl}-5-methyl-1-oxoheptan-4-yl](methyl)carbamoyl}-2-methylpropyl]carbamoyl}-2-methylpropyl](methyl)carbamoyl}pentyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}propanoic acid
    IUPAC:(2R)-2-amino-3-{[1-(5-{[(1S)-1-{[(1S)-1-{[(3R,4S,5S)-3-methoxy-1-{2-[(1R,2R)-1-methoxy-2-methyl-2-{[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]carbamoyl}ethyl]pyrrolidin-1-yl}-5-methyl-1-oxoheptan-4-yl](methyl)carbamoyl}-2-methylpropyl]carbamoyl}-2-methylpropyl](methyl)carbamoyl}pentyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}propanoic acid
  • InChI key:XHAWAHGMCWXSGV-YAZUNOAMSA-N
  • 分子式:C54H84N8O11S2
  • 分子量:1085.43
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCCC1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)c1nccs1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)CCCCCN1C(=O)CC(SC[C@H](N)C(O)=O)C1=O)C(C)C
    SMILES:CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCCC1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)c1nccs1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)CCCCCN1C(=O)CC(SC[C@H](N)C(O)=O)C1=O)C(C)C
  • Cys-mcMMAD is a drug-linker conjugate for ADC (antibody-drug conjugate) featuring MMAD, a potent tubulin inhibitor.
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    TargetMolSC
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