(2R)-4-[(2,5-dimethoxyphenyl)amino]-4-oxidanylidene-2-(pyridin-3-ylmethylamino)butanoic acid

Systemtic Name: (2R)-4-[(2,5-dimethoxyphenyl)amino]-4-oxidanylidene-2-(pyridin-3-ylmethylamino)butanoic acid Openeye Name: (2R)-4-(2,5-dimethoxyanilino)-4-oxo-2-(3-pyridylmethylamino)butanoic acid CAS Name: (2R)-4-(2,5-dimethoxyanilino)-4-oxo-2-(3-pyridinylmethylamino)butanoic acid IUPAC Name: (2R)-4-(2,5-dimethoxyanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid Traditional Name: (2R)-4-(2,5-dimethoxyanilino)-4-keto-2-(3-pyridylmethylamino)butyric acid Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)CC(C(=O)O)NCC2=CN=CC=C2

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)C[C@H](C(=O)O)NCC2=CN=CC=C2

InChI

InChI=1S/C18H21N3O5/c1-25-13-5-6-16(26-2)14(8-13)21-17(22)9-15(18(23)24)20-11-12-4-3-7-19-10-12/h3-8,10,15,20H,9,11H2,1-2H3,(H,21,22)(H,23,24)/t15-/m1/s1