HIT ID: HIT218698027

Cas No: 138147-78-1

分子式: C56H79N15O9

分子量: 1106.344

常用名: (2S)-N-[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(2S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]amino}-4-methylpentan-2-yl]carbamoyl}-2-(3H-imidazol-4-yl)ethyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]-2-[(3R)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-3-ylformamido]pentanediamide, RC-3095

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: (2S)-N-[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(2S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]amino}-4-methylpentan-2-yl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]-2-{[(3R)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-3-yl]formamido}pentanediamide

SMILES: CC(C)C[C@@H](CN[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1Cc2c(CN1)[nH]c1ccccc21)C(C)C

InChI key: IUYCRRDHLJIJBB-QAGBKCHLSA-N