(2S)-2-[(3,5-dimethylphenyl)carbonyl-methyl-amino]-3-(4-nitrophenyl)propanoic acid

Systemtic Name: (2S)-2-[(3,5-dimethylphenyl)carbonyl-methyl-amino]-3-(4-nitrophenyl)propanoic acid Openeye Name: (2S)-2-[(3,5-dimethylbenzoyl)-methyl-amino]-3-(4-nitrophenyl)propanoic acid CAS Name: (2S)-2-[[(3,5-dimethylphenyl)-oxomethyl]-methylamino]-3-(4-nitrophenyl)propanoic acid IUPAC Name: (2S)-2-[(3,5-dimethylbenzoyl)-methylamino]-3-(4-nitrophenyl)propanoic acid Traditional Name: (2S)-2-[(3,5-dimethylbenzoyl)-methyl-amino]-3-(4-nitrophenyl)propionic acid Formula: C19H20N2O5 MolecularWeight: 356.3725

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N(C)C(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N(C)[C@@H](CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O)C

InChI

InChI=1S/C19H20N2O5/c1-12-8-13(2)10-15(9-12)18(22)20(3)17(19(23)24)11-14-4-6-16(7-5-14)21(25)26/h4-10,17H,11H2,1-3H3,(H,23,24)/t17-/m0/s1