2-[[4-(aminocarbonylamino)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-(aminocarbonylamino)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 4-methylsulfanyl-2-[(4-ureidobenzoyl)amino]butanoic acid CAS Name: 2-[[[4-(carbamoylamino)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-(carbamoylamino)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[(4-ureidobenzoyl)amino]butyric acid Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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