(phenylmethyl) N-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitro-1-phenyl-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitro-1-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-(benzyloxycarbonylamino)-3-nitro-1-phenyl-propyl]carbamate CAS Name: N-[(1S)-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-nitro-1-phenylpropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitro-1-phenylpropan-2-yl]carbamate Traditional Name: N-[(1S)-2-(benzyloxycarbonylamino)-3-nitro-1-phenyl-propyl]carbamic acid tert-butyl ester Formula: C22H27N3O6 MolecularWeight: 429.46628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1=CC=CC=C1)C(C[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](C1=CC=CC=C1)C(C[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H27N3O6/c1-22(2,3)31-21(27)24-19(17-12-8-5-9-13-17)18(14-25(28)29)23-20(26)30-15-16-10-6-4-7-11-16/h4-13,18-19H,14-15H2,1-3H3,(H,23,26)(H,24,27)/t18?,19-/m0/s1