Chem
J-GLOBAL ID：200907010349874054   Nikkaji number：J2.766.498I

Ertapenem

エルタペネム
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： C22H25N3O7S
Molecular formula furigana： C22-H25-N3-O7-S
Molecular weight： 475.520
InChI： InChI=1S/C22H25N3O7S/c1-9-16-15(10(2)26)20(28)25(16)17(22(31)32)18(9)33-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)21(29)30/h3-6,9-10,13-16,23,26H,7-8H2,1-2H3,(H,24,27)(H,29,30)(H,31,32)/t9-,10-,13+,14+,15-,16-/m1/s1
InChI key： JUZNIMUFDBIJCM-ANEDZVCMSA-N
SMILES： C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(=O)O)S[C@@H]1CN[C@@H](C1)C(=O)Nc1cccc(c1)C(=O)O
Systematic name  (3)：
  • (4R,5S,6S)-3-[[(3S,5S)-5-[(3-カルボキシフェニル)カルバモイル]ピロリジン-3-イル]チオ]-4-メチル-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
  • (4R,5S,6S)-3-{[(3S,5S)-5-[(3-カルボキシフェニル)カルバモイル]ピロリジン-3-イル]スルファニル}-6-[(1R)-1-ヒドロキシエチル]-4-メチル-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
  • (4R,5S,6S)-3-{[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Other name (3)：
  • (4R,5S,6S)-3-[[(3S,5S)-5-[(3-Carboxyphenyl)carbamoyl]pyrrolidine-3-yl]thio]-4-methyl-6-[(R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hepta-2-ene-2-carboxylic acid
  • エルタペネム
  • Ertapenem
CAS registry number： 153832-46-3
Application (1)：
carbapenem antibiotics
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