Fibrostatin C
HIT212710508
sdf文件结构编辑类似物检索
HIT ID: HIT212710508
Cas No: 91776-47-5
分子式: C18H19NO8S
分子量: 409.41
常用名: Fibrostatin C
氢键受体数 (HBA): 8
氢键供体数 (HBD): 3
LogP: 0.6003969
IUPAC: (2R)-2-acetamido-3-{[(1-hydroxy-3,6-dimethoxy-5,8-dioxo-5,8-dihydronaphthalen-2-yl)methyl]sulfanyl}propanoic acid
IUPAC: (2R)-2-acetamido-3-{[(1-hydroxy-3,6-dimethoxy-5,8-dioxo-5,8-dihydronaphthalen-2-yl)methyl]sulfanyl}propanoic acid
SMILES: COC1=CC(=O)c2c(O)c(CSC[C@H](NC(C)=O)C(O)=O)c(OC)cc2C1=O |t:2|
SMILES: COC1=CC(=O)c2c(O)c(CSC[C@H](NC(C)=O)C(O)=O)c(OC)cc2C1=O |t:2|
InChI key: PBMJDDQAEYEYKK-NSHDSACASA-N
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