3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-6-(methylsulfonylamino)hex-4-ynoic acid

Systemtic Name: 3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-6-(methylsulfonylamino)hex-4-ynoic acid Openeye Name: 3-[[4-(4-carbamimidoylanilino)-4-oxo-butanoyl]amino]-6-(methanesulfonamido)hex-4-ynoic acid CAS Name: 3-[[4-(4-carbamimidoylanilino)-1,4-dioxobutyl]amino]-6-(methanesulfonamido)-4-hexynoic acid IUPAC Name: 3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]-6-(methanesulfonamido)hex-4-ynoic acid Traditional Name: 3-[[4-(4-amidinoanilino)-4-keto-butanoyl]amino]-6-(methanesulfonamido)hex-4-ynoic acid Formula: C18H23N5O6S MolecularWeight: 437.47012

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCC#CC(CC(=O)O)NC(=O)CCC(=O)NC1=CC=C(C=C1)C(=N)N

Isomeric SMILES

CS(=O)(=O)NCC#CC(CC(=O)O)NC(=O)CCC(=O)NC1=CC=C(C=C1)C(=N)N

InChI

InChI=1S/C18H23N5O6S/c1-30(28,29)21-10-2-3-14(11-17(26)27)23-16(25)9-8-15(24)22-13-6-4-12(5-7-13)18(19)20/h4-7,14,21H,8-11H2,1H3,(H3,19,20)(H,22,24)(H,23,25)(H,26,27)