Chem
J-GLOBAL ID：200907003341648687   Nikkaji number：J875.521C

(6S,6β)-3-Methoxy-7α-[(α-oxophenethyl)amino]-8-oxo-4-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 4-nitrobenzyl ester

(6S,6β)-3-メトキシ-7α-[(α-オキソフェネチル)アミノ]-8-オキソ-4-オキサ-1-アザビシクロ[4.2.0]オクタ-2-エン-2-カルボン酸4-ニトロベンジル
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： C23H21N2[N+]O7[O-]
Molecular formula furigana： C23-H21-N3-O8
Molecular weight： 467.434
InChI： InChI=1S/C23H21N3O8/c1-32-23-20(22(29)33-12-15-7-9-16(10-8-15)26(30)31)25-17(13-34-23)19(21(25)28)24-18(27)11-14-5-3-2-4-6-14/h2-10,17,19H,11-13H2,1H3,(H,24,27)/t17-,19+/m1/s1
InChI key： PYVXNDFLKUJAHD-MJGOQNOKSA-N
SMILES： COC1=C(N2[C@H](CO1)[C@H](NC(=O)Cc1ccccc1)C2=O)C(=O)OCc1ccc(cc1)[N+](=O)[O-]
Systematic name  (3)：
  • (6S,6β)-3-メトキシ-7α-[(α-オキソフェネチル)アミノ]-8-オキソ-4-オキサ-1-アザビシクロ[4.2.0]オクタ-2-エン-2-カルボン酸4-ニトロベンジル
  • (4-ニトロフェニル)メチル (6S,7S)-3-メトキシ-8-オキソ-7-(2-フェニルアセトアミド)-4-オキサ-1-アザビシクロ[4.2.0]オクタ-2-エン-2-カルボキシラート
  • (4-nitrophenyl)methyl (6S,7S)-3-methoxy-8-oxo-7-(2-phenylacetamido)-4-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Other name (1)：
  • (6S,6β)-3-Methoxy-7α-[(α-oxophenethyl)amino]-8-oxo-4-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 4-nitrobenzyl ester
Thsaurus map：
Thesaurus Map

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