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

Systemtic Name: 2-azanyl-3-[2-[(3-chlorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-[(3-chlorophenyl)methyl-methyl-amino]-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-[(3-chlorobenzyl)-methyl-amino]-2-keto-ethyl]thio]propionic acid Formula: C13H17ClN2O3S MolecularWeight: 316.80368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClN2O3S/c1-16(6-9-3-2-4-10(14)5-9)12(17)8-20-7-11(15)13(18)19/h2-5,11H,6-8,15H2,1H3,(H,18,19)