(3S)-4-phenyl-3-(pyridin-4-ylmethylcarbamoylamino)butanoic acid

Systemtic Name: (3S)-4-phenyl-3-(pyridin-4-ylmethylcarbamoylamino)butanoic acid Openeye Name: (3S)-4-phenyl-3-(4-pyridylmethylcarbamoylamino)butanoic acid CAS Name: (3S)-3-[[oxo-(pyridin-4-ylmethylamino)methyl]amino]-4-phenylbutanoic acid IUPAC Name: (3S)-4-phenyl-3-(pyridin-4-ylmethylcarbamoylamino)butanoic acid Traditional Name: (3S)-4-phenyl-3-(4-pyridylmethylcarbamoylamino)butyric acid Formula: C17H19N3O3 MolecularWeight: 315.337878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC(=O)O)NC(=O)NCC2=CC=NC=C2

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](CC(=O)O)[15NH]C(=O)[15NH]CC2=CC=NC=C2

InChI

InChI=1S/C17H19N3O3/c21-16(22)11-15(10-13-4-2-1-3-5-13)20-17(23)19-12-14-6-8-18-9-7-14/h1-9,15H,10-12H2,(H,21,22)(H2,19,20,23)/t15-/m0/s1/i19+1,20+1