(4-Nitrophenyl)methyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[[2-[[[(4-nitrophenyl)methoxy]carbonyl]amino]ethyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
CAS Registry Number®
64067-13-6
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CAS Name
(4-Nitrophenyl)methyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[[2-[[[(4-nitrophenyl)methoxy]carbonyl]amino]ethyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylateMolecular Formula
C26H26N4O10SMolecular Mass
586.57Cite this Page
(4-Nitrophenyl)methyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[[2-[[[(4-nitrophenyl)methoxy]carbonyl]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=64067-13-6 (retrieved ) (CAS RN: 64067-13-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
184-185 °C
Source(s)
- (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.
Other Names and Identifiers
InChI
InChI=1S/C26H26N4O10S/c1-15(31)22-20-12-21(41-11-10-27-26(34)40-14-17-4-8-19(9-5-17)30(37)38)23(28(20)24(22)32)25(33)39-13-16-2-6-18(7-3-16)29(35)36/h2-9,15,20,22,31H,10-14H2,1H3,(H,27,34)/t15-,20-,22-/m1/s1
InChIKey
InChIKey=GOIVJQWRIDIJOW-RBQRDFNRSA-N
SMILES
C(OCC1=CC=C(N(=O)=O)C=C1)(=O)C=2N3[C@@]([C@@]([C@@H](C)O)(C3=O)[H])(CC2SCCNC(OCC4=CC=C(N(=O)=O)C=C4)=O)[H]
Canonical SMILES
O=C(OCC1=CC=C(C=C1)N(=O)=O)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]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]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]ethyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
