Nikkomycin J
HIT214317737
sdf文件结构编辑类似物检索
HIT ID: HIT214317737
Cas No: 77368-59-3
分子式: C25H32N6O13
分子量: 624.56
常用名: Nikkomycin J
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-{2-[2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanamido]-2-[5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetamido}pentanedioic acid
IUPAC: 2-{2-[2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanamido]-2-[5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetamido}pentanedioic acid
SMILES: CC(C(N)C(=O)NC(C1OC(C(O)C1O)n1ccc(=O)[nH]c1=O)C(=O)NC(CCC(O)=O)C(O)=O)C(O)c1ccc(O)cn1
SMILES: CC(C(N)C(=O)NC(C1OC(C(O)C1O)n1ccc(=O)[nH]c1=O)C(=O)NC(CCC(O)=O)C(O)=O)C(O)c1ccc(O)cn1
InChI key: JGINXUGXMDDSJF-UHFFFAOYSA-N
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