Chem
J-GLOBAL ID:200907002989915102   Nikkaji number:J419.618J

[(3S)-2-Oxo-3β-[(benzyloxycarbonyl)amino]-4β-[2-(furan-2-yl)ethyl]azetidin-1-yl]acetic acid (4-nitrobenzyl) ester

[(3S)-2-オキソ-3β-[(ベンジルオキシカルボニル)アミノ]-4β-[2-(フラン-2-イル)エチル]アゼチジン-1-イル]酢酸(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: C26H25N2[N+]O7[O-]
Molecular formula furigana: C26-H25-N3-O8
Molecular weight: 507.499
InChI: InChI=1S/C26H25N3O8/c30-23(36-16-19-8-10-20(11-9-19)29(33)34)15-28-22(13-12-21-7-4-14-35-21)24(25(28)31)27-26(32)37-17-18-5-2-1-3-6-18/h1-11,14,22,24H,12-13,15-17H2,(H,27,32)/t22-,24+/m1/s1
InChI key: XKDZGCSCYXKXFA-VWNXMTODSA-N
SMILES: [O-][N+](=O)c1ccc(COC(=O)CN2[C@H](CCc3ccco3)[C@H](NC(=O)OCc3ccccc3)C2=O)cc1
Systematic name  (3):
  • [(3S)-2-オキソ-3β-[(ベンジルオキシカルボニル)アミノ]-4β-[2-(フラン-2-イル)エチル]アゼチジン-1-イル]酢酸(4-ニトロベンジル)
  • (4-ニトロフェニル)メチル 2-[(2R,3S)-3-{[(ベンジルオキシ)カルボニル]アミノ}-2-[2-(フラン-2-イル)エチル]-4-オキソアゼチジン-1-イル]アセタート
  • (4-nitrophenyl)methyl 2-[(2R,3S)-3-{[(benzyloxy)carbonyl]amino}-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]acetate
Other name (1):
  • [(3S)-2-Oxo-3β-[(benzyloxycarbonyl)amino]-4β-[2-(furan-2-yl)ethyl]azetidin-1-yl]acetic acid (4-nitrobenzyl) ester
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