Chem
J-GLOBAL ID:200907016406042310   Nikkaji number:J1.382.119D

(6R)-7α-[(Phenylacetyl)amino]-3-[(1-methyl-1H-tetrazole-5-yl)thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]octa-2-ene-2-carboxylic acid

(6R)-7α-[(フェニルアセチル)アミノ]-3-[(1-メチル-1H-テトラゾール-5-イル)チオ]-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
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: C17H16N6O4S2
Molecular formula furigana: C17-H16-N6-O4-S2
Molecular weight: 432.470
InChI: InChI=1S/C17H16N6O4S2/c1-22-17(19-20-21-22)29-10-8-28-15-12(14(25)23(15)13(10)16(26)27)18-11(24)7-9-5-3-2-4-6-9/h2-6,12,15H,7-8H2,1H3,(H,18,24)(H,26,27)/t12-,15-/m1/s1
InChI key: HIYCNKBWMMGUJB-IUODEOHRSA-N
SMILES: Cn1nnnc1SC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc1ccccc1)C2=O)C(=O)O
Systematic name  (3):
  • (6R)-7α-[(フェニルアセチル)アミノ]-3-[(1-メチル-1H-テトラゾール-5-イル)チオ]-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-[(1-メチル-1H-1,2,3,4-テトラゾール-5-イル)スルファニル]-8-オキソ-7-(2-フェニルアセトアミド)-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-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Other name (1):
  • (6R)-7α-[(Phenylacetyl)amino]-3-[(1-methyl-1H-tetrazole-5-yl)thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]octa-2-ene-2-carboxylic acid
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