3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-4-(phenylsulfonyl)butanoic acid

Systemtic Name: 3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-4-(phenylsulfonyl)butanoic acid Openeye Name: 4-(benzenesulfonyl)-3-[[4-(4-carbamimidoylanilino)-4-oxo-butanoyl]amino]butanoic acid CAS Name: 4-(benzenesulfonyl)-3-[[4-(4-carbamimidoylanilino)-1,4-dioxobutyl]amino]butanoic acid IUPAC Name: 4-(benzenesulfonyl)-3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]butanoic acid Traditional Name: 3-[[4-(4-amidinoanilino)-4-keto-butanoyl]amino]-4-besyl-butyric acid Formula: C21H24N4O6S MolecularWeight: 460.50346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CC(CC(=O)O)NC(=O)CCC(=O)NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CC(CC(=O)O)NC(=O)CCC(=O)NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H24N4O6S/c22-21(23)14-6-8-15(9-7-14)24-18(26)10-11-19(27)25-16(12-20(28)29)13-32(30,31)17-4-2-1-3-5-17/h1-9,16H,10-13H2,(H3,22,23)(H,24,26)(H,25,27)(H,28,29)