Chem
J-GLOBAL ID：200907022185821173
Nikkaji number：J1.582.245G
(6R)-3-(Acetoxymethyl)-7α-[[(2-amino-4-thiazolyl)[(E)-methoxyimino]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]octa-2-ene-2-carboxylic acid
(6R)-3-(アセトキシメチル)-7α-[[(2-アミノ-4-チアゾリル)[(E)-メトキシイミノ]アセチル]アミノ]-8-オキソ-5-チア-1-アザビシクロ[4.2.0]オクタ-2-エン-2-カルボン酸
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C16H17N5O7S2
Molecular formula furigana： C16-H17-N5-O7-S2
Molecular weight： 455.460
InChI：
InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9+/t10-,14-/m1/s1
InChI key：
GPRBEKHLDVQUJE-VINNURBNSA-N
SMILES：
CO/N=C(/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)COC(=O)C)\c1csc(N)n1
Systematic name (3)：
- (6R)-3-(アセトキシメチル)-7α-[[(2-アミノ-4-チアゾリル)[(E)-メトキシイミノ]アセチル]アミノ]-8-オキソ-5-チア-1-アザビシクロ[4.2.0]オクタ-2-エン-2-カルボン酸
- (6R,7R)-3-[(アセチルオキシ)メチル]-7-[(2E)-2-(2-アミノ-1,3-チアゾール-4-イル)-2-(メトキシイミノ)アセトアミド]-8-オキソ-5-チア-1-アザビシクロ[4.2.0]オクタ-2-エン-2-カルボン酸
- (6R,7R)-3-[(acetyloxy)methyl]-7-[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- (6R)-3-(Acetoxymethyl)-7α-[[(2-amino-4-thiazolyl)[(E)-methoxyimino]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]octa-2-ene-2-carboxylic acid
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