HIT ID: HIT218698448

Cas No: 1784687-32-6

分子式: C58H90N16O13S2

分子量: 1283.58

常用名: (2S)-1-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]-3-(3H-imidazol-4-yl)propanamido]-3-hydroxypropanamido]-5-carbamimidamidopentanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid, ELA-11(human)

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: (2S)-1-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]-3-(1H-imidazol-5-yl)propanamido]-3-hydroxypropanamido]-5-carbamimidamidopentanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid

SMILES: CSCC[C@H](NC(=O)[C@@H](N)CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O

InChI key: XXKPNJFJXZBRMX-HDKAIKTRSA-N