HIT ID: HIT218698244

Cas No: 749227-53-0

分子式: C54H101N15O12S

分子量: 1184.56

常用名: (2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-methylpentanamido]-4-methylpentanamido]-4-methylpentanamido]hexanamido]hexanamido]-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]-3-methylbutanoic acid, Handle region peptide, rat

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: (2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-methylpentanamido]-4-methylpentanamido]-4-methylpentanamido]hexanamido]hexanamido]-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]-3-methylbutanoic acid

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

InChI key: IUWJOXCKYYVBEA-QMOUKIQXSA-N