azanyl 2-(4-azanyl-4-oxidanylidene-butanoyl)-2-(4-carbamimidoylphenyl)-6-(methylsulfonylamino)hex-4-ynoate

Systemtic Name: azanyl 2-(4-azanyl-4-oxidanylidene-butanoyl)-2-(4-carbamimidoylphenyl)-6-(methylsulfonylamino)hex-4-ynoate Openeye Name: amino 2-(4-amino-4-oxo-butanoyl)-2-(4-carbamimidoylphenyl)-6-(methanesulfonamido)hex-4-ynoate CAS Name: 2-(4-amino-1,4-dioxobutyl)-2-(4-carbamimidoylphenyl)-6-(methanesulfonamido)-4-hexynoic acid amino ester IUPAC Name: amino 2-(4-amino-4-oxobutanoyl)-2-(4-carbamimidoylphenyl)-6-(methanesulfonamido)hex-4-ynoate Traditional Name: 2-(4-amidinophenyl)-2-(4-amino-4-keto-butanoyl)-6-(methanesulfonamido)hex-4-ynoic acid amino ester Formula: C18H23N5O6S MolecularWeight: 437.47012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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