(2S)-3-[(4-cyanophenyl)carbamoylamino]-2-methyl-propanoic acid

Systemtic Name: (2S)-3-[(4-cyanophenyl)carbamoylamino]-2-methyl-propanoic acid Openeye Name: (2S)-3-[(4-cyanophenyl)carbamoylamino]-2-methyl-propanoic acid CAS Name: (2S)-3-[[(4-cyanoanilino)-oxomethyl]amino]-2-methylpropanoic acid IUPAC Name: (2S)-3-[(4-cyanophenyl)carbamoylamino]-2-methylpropanoic acid Traditional Name: (2S)-3-[(4-cyanophenyl)carbamoylamino]-2-methyl-propionic acid Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)NC1=CC=C(C=C1)C#N)C(=O)O

Isomeric SMILES

C[C@@H](CNC(=O)NC1=CC=C(C=C1)C#N)C(=O)O

InChI

InChI=1S/C12H13N3O3/c1-8(11(16)17)7-14-12(18)15-10-4-2-9(6-13)3-5-10/h2-5,8H,7H2,1H3,(H,16,17)(H2,14,15,18)/t8-/m0/s1