2-azanyl-3-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-[methyl(p-tolylmethyl)amino]-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-keto-2-[methyl-(4-methylbenzyl)amino]ethyl]thio]propionic acid Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C)C(=O)CSCC(C(=O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)CN(C)C(=O)CSCC(C(=O)O)N

InChI

InChI=1S/C14H20N2O3S/c1-10-3-5-11(6-4-10)7-16(2)13(17)9-20-8-12(15)14(18)19/h3-6,12H,7-9,15H2,1-2H3,(H,18,19)