methyl (2S)-2-azanyl-5-oxidanylidene-5-[[4-(phenylmethylsulfanyl)phenyl]amino]pentanoate

Systemtic Name: methyl (2S)-2-azanyl-5-oxidanylidene-5-[[4-(phenylmethylsulfanyl)phenyl]amino]pentanoate Openeye Name: methyl (2S)-2-amino-5-(4-benzylsulfanylanilino)-5-oxo-pentanoate CAS Name: (2S)-2-amino-5-oxo-5-[4-(phenylmethylthio)anilino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-2-amino-5-(4-benzylsulfanylanilino)-5-oxopentanoate Traditional Name: (2S)-2-amino-5-[4-(benzylthio)anilino]-5-keto-valeric acid methyl ester Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC(=O)NC1=CC=C(C=C1)SCC2=CC=CC=C2)N

Isomeric SMILES

COC(=O)[C@H](CCC(=O)NC1=CC=C(C=C1)SCC2=CC=CC=C2)N

InChI

InChI=1S/C19H22N2O3S/c1-24-19(23)17(20)11-12-18(22)21-15-7-9-16(10-8-15)25-13-14-5-3-2-4-6-14/h2-10,17H,11-13,20H2,1H3,(H,21,22)/t17-/m0/s1