HIT ID: HIT218697988

Cas No: 156761-76-1

分子式: C44H67N9O14

分子量: 946.069

常用名: (4S)-4-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido]-5-[(2S)-2-({2-[(2S)-2-{[(1S)-1-{[(1S,2R)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-methylpropyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}carbamoyl)pyrrolidin-1-yl]-5-oxopentanoic acid, G280-9

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: (4S)-4-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido]-5-[(2S)-2-({2-[(2S)-2-{[(1S)-1-{[(1S,2R)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-methylpropyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}carbamoyl)pyrrolidin-1-yl]-5-oxopentanoic acid

SMILES: CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(O)=O

InChI key: BLEZYVGGTWZGPY-YDTVLPSFSA-N