5-(butanoylamino)-2-[3-(methyldisulfanyl)propanoylamino]benzoic acid

Systemtic Name: 5-(butanoylamino)-2-[3-(methyldisulfanyl)propanoylamino]benzoic acid Openeye Name: 5-(butanoylamino)-2-[3-(methyldisulfanyl)propanoylamino]benzoic acid CAS Name: 2-[[3-(methyldisulfanyl)-1-oxopropyl]amino]-5-(1-oxobutylamino)benzoic acid IUPAC Name: 5-(butanoylamino)-2-[3-(methyldisulfanyl)propanoylamino]benzoic acid Traditional Name: 5-butyramido-2-[3-(methyldisulfanyl)propanoylamino]benzoic acid Formula: C15H20N2O4S2 MolecularWeight: 356.4603

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)NC(=O)CCSSC)C(=O)O

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)NC(=O)CCSSC)C(=O)O

InChI

InChI=1S/C15H20N2O4S2/c1-3-4-13(18)16-10-5-6-12(11(9-10)15(20)21)17-14(19)7-8-23-22-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)