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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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