Rodaplutin
HIT214320157
sdf文件结构编辑类似物检索
HIT ID: HIT214320157
Cas No: 108351-49-1
分子式: C24H39N9O7
分子量: 565.632
常用名: Rodaplutin
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 3-[3-(2-amino-4-methylpentanamido)-5-(N-methylcarbamimidamido)pentanamido]-6-[4-amino-5-(hydroxymethyl)-2-oxo-1,2-dihydropyrimidin-1-yl]-3,6-dihydro-2H-pyran-2-carboxylic acid
IUPAC: 3-[3-(2-amino-4-methylpentanamido)-5-(N-methylcarbamimidamido)pentanamido]-6-[4-amino-5-(hydroxymethyl)-2-oxo-1,2-dihydropyrimidin-1-yl]-3,6-dihydro-2H-pyran-2-carboxylic acid
SMILES: CC(C)CC(N)C(=O)NC(CCN(C)C(N)=N)CC(=O)NC1C=CC(OC1C(O)=O)n1cc(CO)c(N)nc1=O |c:22|
SMILES: CC(C)CC(N)C(=O)NC(CCN(C)C(N)=N)CC(=O)NC1C=CC(OC1C(O)=O)n1cc(CO)c(N)nc1=O |c:22|
InChI key: MGPVTRZZQCEQDF-UHFFFAOYSA-N
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