Chem
J-GLOBAL ID：200907013336182942   Nikkaji number：J21.367E

Temocillin

テモシリン
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： C16H18N2O7S2
Molecular formula furigana： C16-H18-N2-O7-S2
Molecular weight： 414.450
InChI： InChI=1S/C16H18N2O7S2/c1-15(2)9(12(22)23)18-13(24)16(25-3,14(18)27-15)17-10(19)8(11(20)21)7-4-5-26-6-7/h4-6,8-9,14H,1-3H3,(H,17,19)(H,20,21)(H,22,23)/t8?,9-,14+,16-/m0/s1
InChI key： BVCKFLJARNKCSS-DWPRYXJFSA-N
SMILES： CO[C@]1(NC(=O)C(C(=O)O)c2ccsc2)[C@H]2SC(C)(C)[C@@H](N2C1=O)C(=O)O
Systematic name  (3)：
  • (6S)-6-[(カルボキシ-3-チエニルアセチル)アミノ]-6-メトキシペニシラン酸
  • (2S,5R,6S)-6-[2-カルボキシ-2-(チオフェン-3-イル)アセトアミド]-6-メトキシ-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-カルボン酸
  • (2S,5R,6S)-6-[2-carboxy-2-(thiophen-3-yl)acetamido]-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Other name (3)：
  • テモシリン
  • Temocillin
  • (6S)-6-[(Carboxy-3-thienylacetyl)amino]-6-methoxypenicillanic acid
CAS registry number： 66148-78-5
Regulation number (1)：
  • EINECS2661841
KEGG DRUG： D06064
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