HIT ID: HIT218697981

Cas No: 160215-60-1

分子式: C55H93N13O13S

分子量: 1176.49

常用名: (2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-{[(2S)-1-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-methylpentanamido]-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}hexanamido]hexanamido]-4-methylpentanamido]-4-carbamoylbutanamido]-3-sulfanylpropanamido]-3-methylbutanoic acid, PSA1 (141-150)

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: (2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-{[(2S)-1-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-methylpentanamido]-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}hexanamido]hexanamido]-4-methylpentanamido]-4-carbamoylbutanamido]-3-sulfanylpropanamido]-3-methylbutanoic acid

SMILES: CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](C(C)C)C(O)=O

InChI key: PDQLGFZSASQGKB-JINWBZGSSA-N