(phenylmethyl) (2S)-2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-nitro-ethyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-nitro-ethyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[(1R)-1-(tert-butoxycarbonylamino)-2-nitro-ethyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[(1R)-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-nitroethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-nitroethyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(1R)-1-(tert-butoxycarbonylamino)-2-nitro-ethyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C19H27N3O6 MolecularWeight: 393.43418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C[N+](=O)[O-])C1CCCN1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](C[N+](=O)[O-])[C@@H]1CCCN1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H27N3O6/c1-19(2,3)28-17(23)20-15(12-22(25)26)16-10-7-11-21(16)18(24)27-13-14-8-5-4-6-9-14/h4-6,8-9,15-16H,7,10-13H2,1-3H3,(H,20,23)/t15-,16+/m1/s1