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

Systemtic Name: 2-[[2-(aminocarbonylamino)-4-methylsulfanyl-butanoyl]amino]benzoic acid Openeye Name: 2-[(4-methylsulfanyl-2-ureido-butanoyl)amino]benzoic acid CAS Name: 2-[[2-(carbamoylamino)-4-(methylthio)-1-oxobutyl]amino]benzoic acid IUPAC Name: 2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]benzoic acid Traditional Name: 2-[[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=C1C(=O)O)NC(=O)N

Isomeric SMILES

CSCCC(C(=O)NC1=CC=CC=C1C(=O)O)NC(=O)N

InChI

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