HIT ID: HIT212658711
Cas No: 37827-06-8
分子式: C46H73N13O10
分子量: 968.171
常用名: [Sar1, Ile8]-Angiotensin II
氢键受体数 (HBA): 15
氢键供体数 (HBD): 13
LogP: -2.8531675
IUPAC: 2-{[1-(2-{2-[2-(2-{5-carbamimidamido-2-[2-(methylamino)acetamido]pentanamido}-3-methylbutanamido)-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido}-3-(1H-imidazol-5-yl)propanoyl)pyrrolidin-2-yl]formamido}-3-methylpentanoic acid
IUPAC: 2-{[1-(2-{2-[2-(2-{5-carbamimidamido-2-[2-(methylamino)acetamido]pentanamido}-3-methylbutanamido)-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido}-3-(1H-imidazol-5-yl)propanoyl)pyrrolidin-2-yl]formamido}-3-methylpentanoic acid
SMILES: CCC(C)C(NC(=O)C1CCCN1C(=O)C(Cc1cnc[nH]1)NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C(CCCNC(N)=N)NC(=O)CNC)C(C)C)C(C)CC)C(O)=O
SMILES: CCC(C)C(NC(=O)C1CCCN1C(=O)C(Cc1cnc[nH]1)NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C(CCCNC(N)=N)NC(=O)CNC)C(C)C)C(C)CC)C(O)=O
InChI key: ZVUNAQTWOGAJRE-UHFFFAOYSA-N
