HIT ID: HIT218697945

Cas No: 648881-58-7

分子式: C72H128N20O19S3

分子量: 1674.12

常用名: (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-3-hydroxy-2-[(2S)-3-methyl-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]propanamido]hexanamido]-4-(methylsulfanyl)butanamido]-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanamido]propanamido]-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]-4-methylpentanamido]-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]propanoic acid, CLIP (86-100)

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-3-hydroxy-2-[(2S)-3-methyl-2-{[(2S)-pyrrolidin-2-yl]formamido}butanamido]propanamido]hexanamido]-4-(methylsulfanyl)butanamido]-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanamido]propanamido]-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]-4-methylpentanamido]-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]propanoic acid

SMILES: CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(O)=O

InChI key: WMBSDMIQCRNTSY-DZBIDPSHSA-N