HIT ID: HIT218698248

Cas No: 799764-07-1

分子式: C76H128N30O16

分子量: 1718.054

常用名: (2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]acetamido}propanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]hexanamido]-4-methylpentanoic acid, PKCζ/ι pseudosubstrate inhibitor

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: (2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]acetamido}propanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]hexanamido]-4-methylpentanoic acid

SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O

InChI key: ISDDDWMHYBTNSA-RRIFIRBXSA-N