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

Systemtic Name: (4-nitrophenyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoate Openeye Name: (4-nitrophenyl) (2S)-6-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)hexanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoate Traditional Name: (2S)-6-(benzyloxycarbonylamino)-2-(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)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCC1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

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