2-azanyl-2-(4-azanyl-4-oxidanylidene-butanoyl)-3-(4-carbamimidoylphenyl)-6-(methylsulfonylamino)hex-4-ynoic acid

Systemtic Name: 2-azanyl-2-(4-azanyl-4-oxidanylidene-butanoyl)-3-(4-carbamimidoylphenyl)-6-(methylsulfonylamino)hex-4-ynoic acid Openeye Name: 2-amino-2-(4-amino-4-oxo-butanoyl)-3-(4-carbamimidoylphenyl)-6-(methanesulfonamido)hex-4-ynoic acid CAS Name: 2-amino-2-(4-amino-1,4-dioxobutyl)-3-(4-carbamimidoylphenyl)-6-(methanesulfonamido)-4-hexynoic acid IUPAC Name: 2-amino-2-(4-amino-4-oxobutanoyl)-3-(4-carbamimidoylphenyl)-6-(methanesulfonamido)hex-4-ynoic acid Traditional Name: 3-(4-amidinophenyl)-2-amino-2-(4-amino-4-keto-butanoyl)-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(C1=CC=C(C=C1)C(=N)N)C(C(=O)CCC(=O)N)(C(=O)O)N

Isomeric SMILES

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

InChI

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