[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C17H25N3O4S MolecularWeight: 367.4631

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C(CCSC)NC(=O)N

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)COC(=O)[C@H](CCSC)NC(=O)N

InChI

InChI=1S/C17H25N3O4S/c1-11(2)12-6-4-5-7-13(12)19-15(21)10-24-16(22)14(8-9-25-3)20-17(18)23/h4-7,11,14H,8-10H2,1-3H3,(H,19,21)(H3,18,20,23)/t14-/m0/s1