(4-Nitrophenyl)methyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[[2-[[[[[(4-nitrophenyl)methoxy]carbonyl]amino]methylene]amino]ethyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
CAS Registry Number®
98367-45-4
CAS Name
(4-Nitrophenyl)methyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[[2-[[[[[(4-nitrophenyl)methoxy]carbonyl]amino]methylene]amino]ethyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylateMolecular Formula
C27H27N5O10SMolecular Mass
613.60Cite this Page
(4-Nitrophenyl)methyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[[2-[[[[[(4-nitrophenyl)methoxy]carbonyl]amino]methylene]amino]ethyl]thio]-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=98367-45-4 (retrieved ) (CAS RN: 98367-45-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C27H27N5O10S/c1-16(33)23-21-12-22(24(30(21)25(23)34)26(35)41-13-17-2-6-19(7-3-17)31(37)38)43-11-10-28-15-29-27(36)42-14-18-4-8-20(9-5-18)32(39)40/h2-9,15-16,21,23,33H,10-14H2,1H3,(H,28,29,36)/t16-,21-,23-/m1/s1
InChIKey
InChIKey=SELONUMJDJVVJG-FQQGMQMYSA-N
SMILES
C(OCC1=CC=C(N(=O)=O)C=C1)(=O)C=2N3[C@@]([C@@]([C@@H](C)O)(C3=O)[H])(CC2SCCN=CNC(OCC4=CC=C(N(=O)=O)C=C4)=O)[H]
Canonical SMILES
O=C(OCC1=CC=C(C=C1)N(=O)=O)NC=NCCSC2=C(C(=O)OCC3=CC=C(C=C3)N(=O)=O)N4C(=O)C(C(O)C)C4C2
Other Names for this Substance
- 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6-[(1R)-1-hydroxyethyl]-3-[[2-[[[[[(4-nitrophenyl)methoxy]carbonyl]amino]methylene]amino]ethyl]thio]-7-oxo-, (4-nitrophenyl)methyl ester, (5R,6S)-
- 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-3-[[2-[[[[[(4-nitrophenyl)methoxy]carbonyl]amino]methylene]amino]ethyl]thio]-7-oxo-, (4-nitrophenyl)methyl ester, [5R-[5α,6α(R*)]]-
- (4-Nitrophenyl)methyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[[2-[[[[[(4-nitrophenyl)methoxy]carbonyl]amino]methylene]amino]ethyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
