Chem
J-GLOBAL ID：200907089767734701   Nikkaji number：J250.771D

(6R,6β)-7α-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester

(6R,6β)-7α-アミノ-3-メチル-8-オキソ-5-チア-1-アザビシクロ[4.2.0]オクタ-2-エン-2-カルボン酸(4-ニトロフェニル)メチル
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： C15H15N2[N+]O4[O-]S
Molecular formula furigana： C15-H15-N3-O5-S
Molecular weight： 349.360
InChI： InChI=1S/C15H15N3O5S/c1-8-7-24-14-11(16)13(19)17(14)12(8)15(20)23-6-9-2-4-10(5-3-9)18(21)22/h2-5,11,14H,6-7,16H2,1H3/t11-,14-/m1/s1
InChI key： ABTUPEBOWRKQLD-BXUZGUMPSA-N
SMILES： CC1=C(N2[C@H](SC1)[C@H](N)C2=O)C(=O)OCc1ccc(cc1)[N+](=O)[O-]
Systematic name  (3)：
  • (6R,6β)-7α-アミノ-3-メチル-8-オキソ-5-チア-1-アザビシクロ[4.2.0]オクタ-2-エン-2-カルボン酸(4-ニトロフェニル)メチル
  • (4-ニトロフェニル)メチル (6R,7R)-7-アミノ-3-メチル-8-オキソ-5-チア-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 (6R,7R)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Other name (1)：
  • (6R,6β)-7α-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester
CAS registry number： 29124-83-2
Regulation number (1)：
  • EINECS2494543
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