Y 12896
HIT214320422
sdf文件结构编辑类似物检索
HIT ID: HIT214320422
Cas No: 74141-68-7
分子式: C17H25Cl2N3O7
分子量: 454.3
常用名: Y 12896
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-amino-N-(1-{[3-(dichloromethyl)-5,6,8-trihydroxy-3-methyl-1-oxo-3,4,4a,5,6,7-hexahydro-1H-2-benzopyran-4-yl]carbamoyl}ethyl)propanamide
IUPAC: 2-amino-N-(1-{[3-(dichloromethyl)-5,6,8-trihydroxy-3-methyl-1-oxo-3,4,4a,5,6,7-hexahydro-1H-2-benzopyran-4-yl]carbamoyl}ethyl)propanamide
SMILES: CC(N)C(=O)NC(C)C(=O)NC1C2C(O)C(O)CC(O)=C2C(=O)OC1(C)C(Cl)Cl |c:19|
SMILES: CC(N)C(=O)NC(C)C(=O)NC1C2C(O)C(O)CC(O)=C2C(=O)OC1(C)C(Cl)Cl |c:19|
InChI key: IYAPNLVPSZAHNK-UHFFFAOYSA-N
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