(4-nitrophenyl) 2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoate

Systemtic Name: (4-nitrophenyl) 2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoate Openeye Name: (4-nitrophenyl) 2-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]propanoate CAS Name: 2-[[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]propanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]propionic acid (4-nitrophenyl) ester Formula: C22H25N3O7 MolecularWeight: 443.4498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O7/c1-14(2)19(24-22(28)31-13-16-7-5-4-6-8-16)20(26)23-15(3)21(27)32-18-11-9-17(10-12-18)25(29)30/h4-12,14-15,19H,13H2,1-3H3,(H,23,26)(H,24,28)