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

Systemtic Name: methyl 2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-(4-nitrophenyl)propanoate Openeye Name: methyl 2-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-3-(4-nitrophenyl)propanoate CAS Name: 2-[[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-3-(4-nitrophenyl)propanoic acid methyl ester IUPAC Name: methyl 2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-(4-nitrophenyl)propanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-3-(4-nitrophenyl)propionic acid methyl ester Formula: C23H27N3O7 MolecularWeight: 457.47638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OC)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OC)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H27N3O7/c1-15(2)20(25-23(29)33-14-17-7-5-4-6-8-17)21(27)24-19(22(28)32-3)13-16-9-11-18(12-10-16)26(30)31/h4-12,15,19-20H,13-14H2,1-3H3,(H,24,27)(H,25,29)