HIT ID: HIT218698595

Cas No: 136466-51-8

分子式: C38H64N8O15

分子量: 872.971

常用名: (4S)-4-amino-4-{[(1S,2S)-1-{[(1S)-1-{[(1S)-2-carboxy-1-{[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-2-hydroxyethyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-methylbutyl]carbamoyl}butanoic acid, Fibronectin CS1 Peptide

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: (4S)-4-amino-4-{[(1S,2S)-1-{[(1S)-1-{[(1S)-2-carboxy-1-{[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-2-hydroxyethyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-methylbutyl]carbamoyl}butanoic acid

SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(O)=O

InChI key: FLNMCNFAJCMMHI-YGHIGYJTSA-N