rel-(4-Nitrophenyl)methyl (5R,6S)-3-[(diphenoxyphosphinyl)oxy]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

CAS Registry Number®

77171-49-4
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CAS Name

rel-(4-Nitrophenyl)methyl (5R,6S)-3-[(diphenoxyphosphinyl)oxy]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Molecular Formula

C28H25N2O10P

Molecular Mass

580.48

Cite this Page

rel-(4-Nitrophenyl)methyl (5R,6S)-3-[(diphenoxyphosphinyl)oxy]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=77171-49-4 (retrieved 2024-09-07) (CAS RN: 77171-49-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C28H25N2O10P/c1-18(31)25-23-16-24(40-41(36,38-21-8-4-2-5-9-21)39-22-10-6-3-7-11-22)26(29(23)27(25)32)28(33)37-17-19-12-14-20(15-13-19)30(34)35/h2-15,18,23,25,31H,16-17H2,1H3/t18-,23-,25-/s2

InChIKey

InChIKey=VVLXPESSYNCTFQ-OAILWDEZNA-N

SMILES

C(OCC1=CC=C(N(=O)=O)C=C1)(=O)C=2N3[C@@]([C@@]([C@@H](C)O)(C3=O)[H])(CC2OP(OC4=CC=CC=C4)(OC5=CC=CC=C5)=O)[H]

Canonical SMILES

O=C(OCC1=CC=C(C=C1)N(=O)=O)C2=C(OP(=O)(OC=3C=CC=CC3)OC=4C=CC=CC4)CC5N2C(=O)C5C(O)C

Other Names for this Substance

  • 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[(diphenoxyphosphinyl)oxy]-6-[(1R)-1-hydroxyethyl]-7-oxo-, (4-nitrophenyl)methyl ester, (5R,6S)-rel-
  • 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[(diphenoxyphosphinyl)oxy]-6-(1-hydroxyethyl)-7-oxo-, (4-nitrophenyl)methyl ester, [5α,6α(R*)]-(±)-
  • 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[(diphenoxyphosphinyl)oxy]-6-(1-hydroxyethyl)-7-oxo-, (4-nitrophenyl)methyl ester, [5α,6α(R*)]-
  • rel-(4-Nitrophenyl)methyl (5R,6S)-3-[(diphenoxyphosphinyl)oxy]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate