Chem
J-GLOBAL ID：200907092297794622   Nikkaji number：J133.884F

N-Acetylthienamycin

N-アセチルチエナマイシン
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： C13H18N2O5S
Molecular formula furigana： C13-H18-N2-O5-S
Molecular weight： 314.360
InChI： InChI=1S/C13H18N2O5S/c1-6(16)10-8-5-9(21-4-3-14-7(2)17)11(13(19)20)15(8)12(10)18/h6,8,10,16H,3-5H2,1-2H3,(H,14,17)(H,19,20)/t6-,8-,10-/m1/s1
InChI key： VUDXUIMGYZQRKK-GTNGPMTGSA-N
SMILES： C[C@@H](O)[C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCCNC(=O)C
Systematic name  (3)：
  • (5R,6S)-3-[[2-(アセチルアミノ)エチル]チオ]-6-[(R)-1-ヒドロキシエチル]-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
  • (5R,6S)-3-[(2-アセトアミドエチル)スルファニル]-6-[(1R)-1-ヒドロキシエチル]-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
  • (5R,6S)-3-[(2-acetamidoethyl)sulfanyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Other name (3)：
  • N-アセチルチエナマイシン
  • N-Acetylthienamycin
  • (5R,6S)-3-[[2-(Acetylamino)ethyl]thio]-6-[(R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CAS registry number： 63701-32-6
KEGG COMPOUND： C17377
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