[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] (2S)-3-phenyl-2-ureido-propanoate CAS Name: (2S)-2-(carbamoylamino)-3-phenylpropanoic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-(carbamoylamino)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-ureido-propionic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)N)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)[C@H](CC2=CC=CC=C2)NC(=O)N)C

InChI

InChI=1S/C21H25N3O4/c1-3-16-11-7-8-14(2)19(16)24-18(25)13-28-20(26)17(23-21(22)27)12-15-9-5-4-6-10-15/h4-11,17H,3,12-13H2,1-2H3,(H,24,25)(H3,22,23,27)/t17-/m0/s1