HIT ID: HIT218643456

Cas No: 126959-88-4

分子式: C47H66N12O11

分子量: 975.118

常用名: (2R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-(2-{[(2S)-1-[(2S)-1-[(2S)-5-carbamimidamido-2-[2-(methylamino)acetamido]pentanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}acetamido)-3-phenylpropanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanoic acid, Sar-[D-Phe8]-des-Arg9-Bradykinin

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: (2R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-(2-{[(2S)-1-[(2S)-1-[(2S)-5-carbamimidamido-2-[2-(methylamino)acetamido]pentanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}acetamido)-3-phenylpropanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanoic acid

SMILES: CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(O)=O

InChI key: YIUBSFCQATYQJB-VCMDLEIESA-N