Allantoin biotin
HIT212694716
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HIT ID: HIT212694716
Cas No: 4492-73-3
分子式: C14H22N6O6S
分子量: 402.43
常用名: Allantoin biotin
氢键受体数 (HBA): 3
氢键供体数 (HBD): 3
LogP: 0.31942365
IUPAC: (2,5-dioxoimidazolidin-4-yl)urea; 5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
IUPAC: (2,5-dioxoimidazolidin-4-yl)urea; 5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
SMILES: NC(=O)NC1NC(=O)NC1=O.OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
SMILES: NC(=O)NC1NC(=O)NC1=O.OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
InChI key: DCWBLFMYZJBXPI-UFLZEWODSA-N
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