(2S)-2-[(2,4-dimethylphenyl)carbamoylamino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[(2,4-dimethylphenyl)carbamoylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[(2,4-dimethylphenyl)carbamoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2,4-dimethylanilino)-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[(2,4-dimethylphenyl)carbamoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[(2,4-dimethylphenyl)carbamoylamino]-3-phenyl-propionate Formula: C18H19N2O3- MolecularWeight: 311.35506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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