HIT ID: HIT218676995

Cas No: 152685-85-3

分子式: C49H64N12O11

分子量: 997.124

常用名: (2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-3-phenylpropanoic acid, Hemorphin-7

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: (2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-3-phenylpropanoic acid

SMILES: C[C@@H](O)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O

InChI key: PAJVBIPSWDYNHN-JMJBHNTOSA-N