2-[[3-(2-sulfanylethanoylamino)-5-(sulfanylmethoxymethylideneamino)phenyl]amino]propanoic acid

Systemtic Name: 2-[[3-(2-sulfanylethanoylamino)-5-(sulfanylmethoxymethylideneamino)phenyl]amino]propanoic acid Openeye Name: 2-[3-[(2-sulfanylacetyl)amino]-5-(sulfanylmethoxymethyleneamino)anilino]propanoic acid CAS Name: 2-[3-(mercaptomethoxymethylideneamino)-5-[(2-mercapto-1-oxoethyl)amino]anilino]propanoic acid IUPAC Name: 2-[3-[(2-sulfanylacetyl)amino]-5-(sulfanylmethoxymethylideneamino)anilino]propanoic acid Traditional Name: 2-[3-[(2-mercaptoacetyl)amino]-5-(mercaptomethoxymethyleneamino)anilino]propionic acid Formula: C13H17N3O4S2 MolecularWeight: 343.42178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC1=CC(=CC(=C1)NC(=O)CS)N=COCS

Isomeric SMILES

CC(C(=O)O)NC1=CC(=CC(=C1)NC(=O)CS)N=COCS

InChI

InChI=1S/C13H17N3O4S2/c1-8(13(18)19)15-10-2-9(14-6-20-7-22)3-11(4-10)16-12(17)5-21/h2-4,6,8,15,21-22H,5,7H2,1H3,(H,16,17)(H,18,19)