HIT ID: HIT219422906
Cas No: 97825-07-5
分子式: C50H71N15O11S2
分子量: 1122.33
常用名: [Thi5,8,DPhe7] Bradykinin
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-(2-{[(2S)-1-[(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}acetamido)-3-(thiophen-2-yl)propanamido]-3-hydroxypropanamido]-3-phenylpropanamido]-3-(thiophen-2-yl)propanamido]-5-carbamimidamidopentanoic acid
IUPAC: (2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-(2-{[(2S)-1-[(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}acetamido)-3-(thiophen-2-yl)propanamido]-3-hydroxypropanamido]-3-phenylpropanamido]-3-(thiophen-2-yl)propanamido]-5-carbamimidamidopentanoic acid
SMILES: N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
SMILES: N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
InChI key: JRBHAUUWUHNRJJ-INZKOXSASA-N
