(2S)-2-[(2,3-dimethylphenyl)carbamoylamino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[(2,3-dimethylphenyl)carbamoylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[(2,3-dimethylphenyl)carbamoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2,3-dimethylanilino)-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[(2,3-dimethylphenyl)carbamoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[(2,3-dimethylphenyl)carbamoylamino]-3-phenyl-propionate Formula: C18H19N2O3- MolecularWeight: 311.35506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O3/c1-12-7-6-10-15(13(12)2)19-18(23)20-16(17(21)22)11-14-8-4-3-5-9-14/h3-10,16H,11H2,1-2H3,(H,21,22)(H2,19,20,23)/p-1/t16-/m0/s1