[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-(2,6-diethylanilino)-2-oxo-ethyl] (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-(2,6-diethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-diethylanilino)-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid [2-(2,6-diethylanilino)-2-keto-ethyl] ester Formula: C18H27N3O4S MolecularWeight: 381.48968

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C(CCSC)NC(=O)N

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)[C@H](CCSC)NC(=O)N

InChI

InChI=1S/C18H27N3O4S/c1-4-12-7-6-8-13(5-2)16(12)21-15(22)11-25-17(23)14(9-10-26-3)20-18(19)24/h6-8,14H,4-5,9-11H2,1-3H3,(H,21,22)(H3,19,20,24)/t14-/m0/s1