(phenylmethyl) N-[(2R)-1-(cyclopentylamino)-3-(4-nitrophenyl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2R)-1-(cyclopentylamino)-3-(4-nitrophenyl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: benzyl N-[(1R)-2-(cyclopentylamino)-1-[(4-nitrophenyl)methyl]-2-oxo-ethyl]carbamate CAS Name: N-[(2R)-1-(cyclopentylamino)-3-(4-nitrophenyl)-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2R)-1-(cyclopentylamino)-3-(4-nitrophenyl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1R)-2-(cyclopentylamino)-2-keto-1-(4-nitrobenzyl)ethyl]carbamic acid benzyl ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C(CC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCC(C1)NC(=O)[C@@H](CC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O5/c26-21(23-18-8-4-5-9-18)20(14-16-10-12-19(13-11-16)25(28)29)24-22(27)30-15-17-6-2-1-3-7-17/h1-3,6-7,10-13,18,20H,4-5,8-9,14-15H2,(H,23,26)(H,24,27)/t20-/m1/s1