HIT ID: HIT214323015
Cas No: 208939-95-1
分子式: C43H56N6O14S
分子量: 913.01
常用名: Hepatitis Virus C NS3 Protease Inhibitor 2
常用名: Hepatitis Virus C NS3 Protease Inhibitor 2
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (4S)-4-{[(1S)-1-{[(1S)-3-carboxy-1-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-cyclohexylethyl]carbamoyl}propyl]carbamoyl}-2,2-diphenylethyl]carbamoyl}-4-[(2S)-3-carboxy-2-acetamidopropanamido]butanoic acid
IUPAC: (4S)-4-{[(1S)-1-{[(1S)-3-carboxy-1-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-cyclohexylethyl]carbamoyl}propyl]carbamoyl}-2,2-diphenylethyl]carbamoyl}-4-[(2S)-3-carboxy-2-acetamidopropanamido]butanoic acid
SMILES: CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(O)=O |@:22|
SMILES: CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(O)=O |@:22|
InChI key: UJAUCRPOZPWCGV-XJJOYFJPSA-N