Chem
J-GLOBAL ID：200907096979921494   Nikkaji number：J260.590B

(2S,5β)-6α-[[(R)-Azido(phenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2β-carboxylic acid sodium salt

(2S,5β)-6α-[[(R)-アジド(フェニル)アセチル]アミノ]-3,3-ジメチル-7-オキソ-4-チア-1-アザビシクロ[3.2.0]ヘプタン-2β-カルボン酸ナトリウム
Substance type：
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
Molecular formula： C16H16N3[N-][N+]NaO4S
Molecular formula furigana： C16-H16-N5-NA-O4-S
Molecular weight： 397.380
InChI： InChI=1S/C16H17N5O4S.Na/c1-16(2)11(15(24)25)21-13(23)10(14(21)26-16)18-12(22)9(19-20-17)8-6-4-3-5-7-8;/h3-7,9-11,14H,1-2H3,(H,18,22)(H,24,25);/q;+1/p-1/t9-,10-,11+,14-;/m1./s1
InChI key： DKUPMJBOYNDXNY-YWUHCJSESA-M
SMILES： CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N=[N+]=[N-])c3ccccc3)C(=O)N2[C@H]1C(=O)O[Na]
Systematic name  (3)：
  • (2S,5β)-6α-[[(R)-アジド(フェニル)アセチル]アミノ]-3,3-ジメチル-7-オキソ-4-チア-1-アザビシクロ[3.2.0]ヘプタン-2β-カルボン酸ナトリウム
  • ナトリウム (2S,5R,6R)-6-[(2R)-2-アジド-2-フェニルアセトアミド]-3,3-ジメチル-7-オキソ-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
  • sodium (2S,5R,6R)-6-[(2R)-2-azido-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Other name (1)：
  • (2S,5β)-6α-[[(R)-Azido(phenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2β-carboxylic acid sodium salt
CAS registry number： 35334-12-4
Regulation number (1)：
  • EINECS2525162
KEGG DRUG： D07484
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