3-[[2-(aminocarbonylamino)-4-methylsulfanyl-butanoyl]amino]benzoic acid

Systemtic Name: 3-[[2-(aminocarbonylamino)-4-methylsulfanyl-butanoyl]amino]benzoic acid Openeye Name: 3-[(4-methylsulfanyl-2-ureido-butanoyl)amino]benzoic acid CAS Name: 3-[[2-(carbamoylamino)-4-(methylthio)-1-oxobutyl]amino]benzoic acid IUPAC Name: 3-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]benzoic acid Traditional Name: 3-[[4-(methylthio)-2-ureido-butanoyl]amino]benzoic acid Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC=CC(=C1)C(=O)O)NC(=O)N

Isomeric SMILES

CSCCC(C(=O)NC1=CC=CC(=C1)C(=O)O)NC(=O)N

InChI

InChI=1S/C13H17N3O4S/c1-21-6-5-10(16-13(14)20)11(17)15-9-4-2-3-8(7-9)12(18)19/h2-4,7,10H,5-6H2,1H3,(H,15,17)(H,18,19)(H3,14,16,20)