[(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [(1S)-2-(4-methylanilino)-2-oxo-1-phenyl-ethyl] (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid [(1S)-2-keto-1-phenyl-2-(p-toluidino)ethyl] ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-14-8-10-16(11-9-14)23-19(25)18(15-6-4-3-5-7-15)28-20(26)17(12-13-29-2)24-21(22)27/h3-11,17-18H,12-13H2,1-2H3,(H,23,25)(H3,22,24,27)/t17-,18-/m0/s1