(4-nitrophenyl)methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxy-propanoate

Systemtic Name: (4-nitrophenyl)methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxy-propanoate Openeye Name: (4-nitrophenyl)methyl (2S)-3-benzyloxy-2-(tert-butoxycarbonylamino)propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylmethoxypropanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoate Traditional Name: (2S)-3-benzoxy-2-(tert-butoxycarbonylamino)propionic acid (4-nitrobenzyl) ester Formula: C22H26N2O7 MolecularWeight: 430.45104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(COCC1=CC=CC=C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](COCC1=CC=CC=C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O7/c1-22(2,3)31-21(26)23-19(15-29-13-16-7-5-4-6-8-16)20(25)30-14-17-9-11-18(12-10-17)24(27)28/h4-12,19H,13-15H2,1-3H3,(H,23,26)/t19-/m0/s1