4-[bis(4-oxidanyl-4-oxidanylidene-butyl)carbamothioyl-(4-oxidanyl-4-oxidanylidene-butyl)amino]butanoic acid

Systemtic Name: 4-[bis(4-oxidanyl-4-oxidanylidene-butyl)carbamothioyl-(4-oxidanyl-4-oxidanylidene-butyl)amino]butanoic acid Openeye Name: 4-[bis(4-hydroxy-4-oxo-butyl)carbamothioyl-(4-hydroxy-4-oxo-butyl)amino]butanoic acid CAS Name: 4-[[[bis(4-hydroxy-4-oxobutyl)amino]-sulfanylidenemethyl]-(4-hydroxy-4-oxobutyl)amino]butanoic acid IUPAC Name: 4-[bis(4-hydroxy-4-oxobutyl)carbamothioyl-(4-hydroxy-4-oxobutyl)amino]butanoic acid Traditional Name: 4-[bis(4-hydroxy-4-keto-butyl)thiocarbamoyl-(4-hydroxy-4-keto-butyl)amino]butyric acid Formula: C17H28N2O8S MolecularWeight: 420.47782

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)O)CN(CCCC(=O)O)C(=S)N(CCCC(=O)O)CCCC(=O)O

Isomeric SMILES

C(CC(=O)O)CN(CCCC(=O)O)C(=S)N(CCCC(=O)O)CCCC(=O)O

InChI

InChI=1S/C17H28N2O8S/c20-13(21)5-1-9-18(10-2-6-14(22)23)17(28)19(11-3-7-15(24)25)12-4-8-16(26)27/h1-12H2,(H,20,21)(H,22,23)(H,24,25)(H,26,27)