[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid [2-keto-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)C(CCSC)NC(=O)N

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)[C@H](CCSC)NC(=O)N

InChI

InChI=1S/C17H21N3O4S/c1-10-15(11-5-3-4-6-12(11)19-10)14(21)9-24-16(22)13(7-8-25-2)20-17(18)23/h3-6,13,19H,7-9H2,1-2H3,(H3,18,20,23)/t13-/m0/s1