[(1S)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 6-(aminocarbonylamino)hexanoate

Systemtic Name: [(1S)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 6-(aminocarbonylamino)hexanoate Openeye Name: [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 6-ureidohexanoate CAS Name: 6-(carbamoylamino)hexanoic acid [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 6-(carbamoylamino)hexanoate Traditional Name: 6-ureidohexanoic acid [(1S)-2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O4/c1-16-12-13-17(2)19(15-16)26-22(28)21(18-9-5-3-6-10-18)30-20(27)11-7-4-8-14-25-23(24)29/h3,5-6,9-10,12-13,15,21H,4,7-8,11,14H2,1-2H3,(H,26,28)(H3,24,25,29)/t21-/m0/s1