[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl] (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate

Systemtic Name: [2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl] (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: [2-(4-isopropylanilino)-2-oxo-ethyl] (2S)-3-phenyl-2-ureido-propanoate CAS Name: (2S)-2-(carbamoylamino)-3-phenylpropanoic acid [2-oxo-2-(4-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-ylanilino)ethyl] (2S)-2-(carbamoylamino)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-ureido-propionic acid (2-cumidino-2-keto-ethyl) ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4/c1-14(2)16-8-10-17(11-9-16)23-19(25)13-28-20(26)18(24-21(22)27)12-15-6-4-3-5-7-15/h3-11,14,18H,12-13H2,1-2H3,(H,23,25)(H3,22,24,27)/t18-/m0/s1