methyl (2S)-2-[2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanylacetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-[[2-(3-methylanilino)-2-oxoethyl]thio]-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-[[2-keto-2-(m-toluidino)ethyl]thio]acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C17H24N2O4S2 MolecularWeight: 384.51346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O4S2/c1-12-5-4-6-13(9-12)18-15(20)10-25-11-16(21)19-14(7-8-24-3)17(22)23-2/h4-6,9,14H,7-8,10-11H2,1-3H3,(H,18,20)(H,19,21)/t14-/m0/s1