[(1R,2S)-1-cyclohexyl-1-[(3,5-dinitrophenyl)carbonylamino]butan-2-yl] (2R)-2-methoxy-2-phenyl-ethanoate

Systemtic Name: [(1R,2S)-1-cyclohexyl-1-[(3,5-dinitrophenyl)carbonylamino]butan-2-yl] (2R)-2-methoxy-2-phenyl-ethanoate Openeye Name: [(1S)-1-[(R)-cyclohexyl-[(3,5-dinitrobenzoyl)amino]methyl]propyl] (2R)-2-methoxy-2-phenyl-acetate CAS Name: (2R)-2-methoxy-2-phenylacetic acid [(1R,2S)-1-cyclohexyl-1-[[(3,5-dinitrophenyl)-oxomethyl]amino]butan-2-yl] ester IUPAC Name: [(1R,2S)-1-cyclohexyl-1-[(3,5-dinitrobenzoyl)amino]butan-2-yl] (2R)-2-methoxy-2-phenylacetate Traditional Name: (2R)-2-methoxy-2-phenyl-acetic acid [(1S)-1-[(R)-cyclohexyl-[(3,5-dinitrobenzoyl)amino]methyl]propyl] ester Formula: C26H31N3O8 MolecularWeight: 513.53964

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1CCCCC1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C(C3=CC=CC=C3)OC

Isomeric SMILES

CC[C@@H]([C@@H](C1CCCCC1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OC(=O)[C@@H](C3=CC=CC=C3)OC

InChI

InChI=1S/C26H31N3O8/c1-3-22(37-26(31)24(36-2)18-12-8-5-9-13-18)23(17-10-6-4-7-11-17)27-25(30)19-14-20(28(32)33)16-21(15-19)29(34)35/h5,8-9,12-17,22-24H,3-4,6-7,10-11H2,1-2H3,(H,27,30)/t22-,23+,24+/m0/s1