98358-90-8 Purity
96%
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Specification
The molecular formula is C27H27N5O10S.
The synonyms are "Protected Imipenem 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)-".
The molecular weight is 613.6 g/mol.
It was created on February 16, 2015.
It was last modified on December 30, 2023.
The IUPAC name is "(4-nitrophenyl)methyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[2-[[(4-nitrophenyl)methoxycarbonylamino]methylideneamino]ethylsulfanyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate".
The InChI is "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".
The InChIKey is "SELONUMJDJVVJG-FQQGMQMYSA-N".
The canonical SMILES is "CC(C1C2CC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SCCN=CNC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])O".
The CAS number is 98367-45-4.