3-(carboxymethyldisulfanyl)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanoic acid

Systemtic Name: 3-(carboxymethyldisulfanyl)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanoic acid Openeye Name: 3-(carboxymethyldisulfanyl)-2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]propanoic acid CAS Name: 3-(carboxymethyldisulfanyl)-2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]propanoic acid IUPAC Name: 3-(carboxymethyldisulfanyl)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanoic acid Traditional Name: 3-(carboxymethyldisulfanyl)-2-(naphthionylamino)propionic acid Formula: C17H20N2O6S3 MolecularWeight: 444.5455

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC(CSSCC(=O)O)C(=O)O

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC(CSSCC(=O)O)C(=O)O

InChI

InChI=1S/C17H20N2O6S3/c1-19(2)14-7-3-6-12-11(14)5-4-8-15(12)28(24,25)18-13(17(22)23)9-26-27-10-16(20)21/h3-8,13,18H,9-10H2,1-2H3,(H,20,21)(H,22,23)