Cefazolin-13C2,15N
HIT212972338
sdf文件结构编辑类似物检索
HIT ID: HIT212972338
Cas No: 2101505-58-0
分子式: C14H14N8O4S3
分子量: 457.48
常用名: Cefazolin-13C2,15N
氢键受体数 (HBA): 9
氢键供体数 (HBD): 2
LogP: -1.5194101
IUPAC: (6R,7R)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-{2-[(1-15N)-1H-1,2,3,4-tetrazol-1-yl](1,2-13C2)acetamido}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC: (6R,7R)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-{2-[(1-15N)-1H-1,2,3,4-tetrazol-1-yl](1,2-13C2)acetamido}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SMILES: Cc1nnc(SCC2=C(N3[C@H](SC2)[C@H](N[13C](=O)[13CH2][15n]2cnnn2)C3=O)C(O)=O)s1 |t:7|
SMILES: Cc1nnc(SCC2=C(N3[C@H](SC2)[C@H](N[13C](=O)[13CH2][15n]2cnnn2)C3=O)C(O)=O)s1 |t:7|
InChI key: MLYYVTUWGNIJIB-ZDZFQHAJSA-N
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