[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2R)-2-(aminocarbonylamino)-3-phenyl-propanoate

Systemtic Name: [(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2R)-2-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: [(1S)-1-methyl-2-(3-methylanilino)-2-oxo-ethyl] (2R)-3-phenyl-2-ureido-propanoate CAS Name: (2R)-2-(carbamoylamino)-3-phenylpropanoic acid [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] (2R)-2-(carbamoylamino)-3-phenylpropanoate Traditional Name: (2R)-3-phenyl-2-ureido-propionic acid [(1S)-2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)C(CC2=CC=CC=C2)NC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4/c1-13-7-6-10-16(11-13)22-18(24)14(2)27-19(25)17(23-20(21)26)12-15-8-4-3-5-9-15/h3-11,14,17H,12H2,1-2H3,(H,22,24)(H3,21,23,26)/t14-,17+/m0/s1