Chem
J-GLOBAL ID：200907062815363197
Nikkaji number：J1.536.425D
(2S,5β)-3,3-Dimethyl-6α-(phenylacetylamino)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2β-carboxylic acidanion
(2S,5β)-3,3-ジメチル-6α-(フェニルアセチルアミノ)-7-オキソ-4-チア-1-アザビシクロ[3.2.0]ヘプタン-2β-カルボン酸アニオン
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： C16H17N2O3[O-]S
Molecular formula furigana： C16-H17-N2-O4-S
Molecular weight： 333.380
InChI：
InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/p-1/t11-,12+,14-/m1/s1
InChI key：
JGSARLDLIJGVTE-MBNYWOFBSA-M
SMILES：
CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)[O-]
Systematic name (4)：
- (2S,5β)-3,3-ジメチル-6α-(フェニルアセチルアミノ)-7-オキソ-4-チア-1-アザビシクロ[3.2.0]ヘプタン-2β-カルボン酸アニオン
- (2S,5R,6R)-6-[(ベンジルカルボニル)アミノ]-7-オキソ-3,3-ジメチル-4-チア-1-アザビシクロ[3.2.0]ヘプタン-2-カルボン酸アニオン
- (2S,5R,6R)-3,3-ジメチル-7-オキソ-6-(2-フェニルアセトアミド)-4-チア-1-アザビシクロ[3.2.0]ヘプタン-2-カルボキシラート
- (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
- (2S,5β)-3,3-Dimethyl-6α-(phenylacetylamino)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2β-carboxylic acidanion
- (2S,5R,6R)-6-[(Benzylcarbonyl)amino]-7-oxo-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid anion
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