dimethyl (2S)-2-[[3-[2-(methylamino)phenyl]-3-oxidanylidene-propanoyl]amino]pentanedioate

Systemtic Name: dimethyl (2S)-2-[[3-[2-(methylamino)phenyl]-3-oxidanylidene-propanoyl]amino]pentanedioate Openeye Name: dimethyl (2S)-2-[[3-[2-(methylamino)phenyl]-3-oxo-propanoyl]amino]pentanedioate CAS Name: (2S)-2-[[3-[2-(methylamino)phenyl]-1,3-dioxopropyl]amino]pentanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[[3-[2-(methylamino)phenyl]-3-oxopropanoyl]amino]pentanedioate Traditional Name: (2S)-2-[[3-keto-3-[2-(methylamino)phenyl]propanoyl]amino]glutaric acid dimethyl ester Formula: C17H22N2O6 MolecularWeight: 350.36638

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=CC=C1C(=O)CC(=O)NC(CCC(=O)OC)C(=O)OC

Isomeric SMILES

CNC1=CC=CC=C1C(=O)CC(=O)N[C@@H](CCC(=O)OC)C(=O)OC

InChI

InChI=1S/C17H22N2O6/c1-18-12-7-5-4-6-11(12)14(20)10-15(21)19-13(17(23)25-3)8-9-16(22)24-2/h4-7,13,18H,8-10H2,1-3H3,(H,19,21)/t13-/m0/s1