HIT ID: HIT218851870
Cas No: 157876-41-0
分子式: C49H70N14O14S
分子量: 1111.24
常用名: CEF19, Epstein-Barr Virus latent NA-3A (458-466)
常用名: CEF19, Epstein-Barr Virus latent NA-3A (458-466)
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (4S)-4-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]-3-(1H-imidazol-5-yl)propanamido]-4-{[(1S)-3-carbamoyl-1-{[(1S)-1-[({[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}methyl)carbamoyl]-2-(1H-imidazol-5-yl)ethyl]carbamoyl}propyl]carbamoyl}butanoic acid
IUPAC: (4S)-4-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]-3-(1H-imidazol-5-yl)propanamido]-4-{[(1S)-3-carbamoyl-1-{[(1S)-1-[({[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}methyl)carbamoyl]-2-(1H-imidazol-5-yl)ethyl]carbamoyl}propyl]carbamoyl}butanoic acid
SMILES: CSCC[C@H](NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
SMILES: CSCC[C@H](NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
InChI key: VDQWSWOIUTWCOY-QSVFAHTRSA-N
