HIT ID: HIT212653282
Cas No: T7575L
分子式: C48H74F3N13O12
分子量: 1082.194
常用名: [Sar1, Ile8]-Angiotensin II 3TFA
常用名: [Sar1, Ile8]-Angiotensin II 3TFA
氢键受体数 (HBA): 15
氢键供体数 (HBD): 13
LogP: -2.8531675
IUPAC: (2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-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; trifluoroacetic acid
IUPAC: (2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-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; trifluoroacetic acid
SMILES: OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC)C(C)C)[C@@H](C)CC)C(O)=O
SMILES: OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC)C(C)C)[C@@H](C)CC)C(O)=O
InChI key: CRMJFLJNJDPPTM-OFHYUQTQSA-N
