HIT ID: HIT212708861
Cas No: 2855063-75-9
分子式: C43H66N12O13
分子量: 959.072
常用名: Angiotensin Fragment 1-7 (acetate)
常用名: Angiotensin Fragment 1-7 (acetate)
氢键受体数 (HBA): 16
氢键供体数 (HBD): 13
LogP: -5.982693
IUPAC: (2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-5-carbamimidamidopentanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-(1H-imidazol-4-yl)propanoyl]pyrrolidine-2-carboxylic acid; acetic acid
IUPAC: (2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-5-carbamimidamidopentanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-(1H-imidazol-4-yl)propanoyl]pyrrolidine-2-carboxylic acid; acetic acid
SMILES: CC(O)=O.[H][C@](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(O)=O
SMILES: CC(O)=O.[H][C@](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(O)=O
InChI key: VJHCETPHKAQOHY-LBGFTJIYSA-N
