Chem
J-GLOBAL ID:200907005930115845   Nikkaji number:J440.942F

(5S)-6β-[(R)-1-Hydroxyethyl]-3-[[6-(methylamino)-4-pyridyl]methylthio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

(5S)-6β-[(R)-1-ヒドロキシエチル]-3-[[6-(メチルアミノ)-4-ピリジル]メチルチオ]-7-オキソ-1-アザビシクロ[3.2.0]ヘプタ-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: C16H19N3O4S
Molecular formula furigana: C16-H19-N3-O4-S
Molecular weight: 349.410
InChI: InChI=1S/C16H19N3O4S/c1-8(20)13-10-6-11(14(16(22)23)19(10)15(13)21)24-7-9-3-4-18-12(5-9)17-2/h3-5,8,10,13,20H,6-7H2,1-2H3,(H,17,18)(H,22,23)/t8-,10+,13-/m1/s1
InChI key: ZNWDNIRADBBUPB-DFAYQTQMSA-N
SMILES: CNc1cc(CSC2=C(N3[C@@H](C2)[C@@H]([C@@H](C)O)C3=O)C(=O)O)ccn1
Systematic name  (3):
  • (5S)-6β-[(R)-1-ヒドロキシエチル]-3-[[6-(メチルアミノ)-4-ピリジル]メチルチオ]-7-オキソ-1-アザビシクロ[3.2.0]ヘプタ-2-エン-2-カルボン酸
  • (5S,6S)-6-[(1R)-1-ヒドロキシエチル]-3-({[2-(メチルアミノ)ピリジン-4-イル]メチル}スルファニル)-7-オキソ-1-アザビシクロ[3.2.0]ヘプタ-2-エン-2-カルボン酸
  • (5S,6S)-6-[(1R)-1-hydroxyethyl]-3-({[2-(methylamino)pyridin-4-yl]methyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Other name (1):
  • (5S)-6β-[(R)-1-Hydroxyethyl]-3-[[6-(methylamino)-4-pyridyl]methylthio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
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