[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C17H24N2O4S MolecularWeight: 352.44846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)C(CCSC)NC(=O)N)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)[C@H](CCSC)NC(=O)N)C)C

InChI

InChI=1S/C17H24N2O4S/c1-10-7-12(3)13(8-11(10)2)15(20)9-23-16(21)14(5-6-24-4)19-17(18)22/h7-8,14H,5-6,9H2,1-4H3,(H3,18,19,22)/t14-/m0/s1