3-(carboxymethylamino)-3,3-bis(methylsulfanyl)-2-phenoxy-propanoic acid

Systemtic Name: 3-(carboxymethylamino)-3,3-bis(methylsulfanyl)-2-phenoxy-propanoic acid Openeye Name: 3-(carboxymethylamino)-3,3-bis(methylsulfanyl)-2-phenoxy-propanoic acid CAS Name: 3-(carboxymethylamino)-3,3-bis(methylthio)-2-phenoxypropanoic acid IUPAC Name: 3-(carboxymethylamino)-3,3-bis(methylsulfanyl)-2-phenoxypropanoic acid Traditional Name: 3-(carboxymethylamino)-3,3-bis(methylthio)-2-phenoxy-propionic acid Formula: C13H17NO5S2 MolecularWeight: 331.40778

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Descriptors Computed from Structure

Canonical SMILES:

CSC(C(C(=O)O)OC1=CC=CC=C1)(NCC(=O)O)SC

Isomeric SMILES

CSC(C(C(=O)O)OC1=CC=CC=C1)(NCC(=O)O)SC

InChI

InChI=1S/C13H17NO5S2/c1-20-13(21-2,14-8-10(15)16)11(12(17)18)19-9-6-4-3-5-7-9/h3-7,11,14H,8H2,1-2H3,(H,15,16)(H,17,18)