HIT ID: HIT212711138
Cas No: 82131-82-6
分子式: C52H74N12O9
分子量: 1011.239
常用名: H 77
氢键受体数 (HBA): 13
氢键供体数 (HBD): 11
LogP: -0.47763008
IUPAC: (2S)-2-[(2S)-2-[(2S)-2-{[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2R)-2-amino-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-methylpentyl]amino}-4-methylpentanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanoic acid
IUPAC: (2S)-2-[(2S)-2-[(2S)-2-{[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2R)-2-amino-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-methylpentyl]amino}-4-methylpentanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanoic acid
SMILES: CC(C)C[C@@H](CN[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1c[nH]cn1
SMILES: CC(C)C[C@@H](CN[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1c[nH]cn1
InChI key: ABDWINSTWUZFIV-RLWIUDPYSA-N
