phenylmethoxycarbonyl (2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(4-nitrophenyl)amino]hexanoate

Systemtic Name: phenylmethoxycarbonyl (2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(4-nitrophenyl)amino]hexanoate Openeye Name: benzyloxycarbonyl (2S)-6-(tert-butoxycarbonylamino)-2-(4-nitroanilino)hexanoate CAS Name: (2S)-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-(4-nitroanilino)hexanoic acid phenylmethoxycarbonyl ester IUPAC Name: phenylmethoxycarbonyl (2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-nitroanilino)hexanoate Traditional Name: (2S)-6-(tert-butoxycarbonylamino)-2-(4-nitroanilino)hexanoic acid carbobenzoxy ester Formula: C25H31N3O8 MolecularWeight: 501.52894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCC(C(=O)OC(=O)OCC1=CC=CC=C1)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)OC(=O)OCC1=CC=CC=C1)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C25H31N3O8/c1-25(2,3)36-23(30)26-16-8-7-11-21(27-19-12-14-20(15-13-19)28(32)33)22(29)35-24(31)34-17-18-9-5-4-6-10-18/h4-6,9-10,12-15,21,27H,7-8,11,16-17H2,1-3H3,(H,26,30)/t21-/m0/s1