3-(2-{2-[2-acetamido-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido}propanamido)-3-[(4-nitrophenyl)carbamoyl]propanoic acid, Ac-YVAD-pNA
HIT218832727
sdf文件结构编辑类似物检索
HIT ID: HIT218832727
Cas No:
分子式: C29H36N6O10
分子量: 628.639
常用名: 3-(2-{2-[2-acetamido-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido}propanamido)-3-[(4-nitrophenyl)carbamoyl]propanoic acid, Ac-YVAD-pNA
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 3-(2-{2-[2-acetamido-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido}propanamido)-3-[(4-nitrophenyl)carbamoyl]propanoic acid
SMILES: CC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(C)=O)C(=O)NC(C)C(=O)NC(CC(O)=O)C(=O)Nc1ccc(cc1)N(=O)=O
InChI key: YDPNOCSPPGFBPX-UHFFFAOYSA-N
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