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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCC(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2

InChI

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