(4-azanyl-4-oxidanylidene-butanoyl) 5-azanyl-2-(4-carbamimidoylphenyl)pent-4-ynoate

Systemtic Name: (4-azanyl-4-oxidanylidene-butanoyl) 5-azanyl-2-(4-carbamimidoylphenyl)pent-4-ynoate Openeye Name: (4-amino-4-oxo-butanoyl) 5-amino-2-(4-carbamimidoylphenyl)pent-4-ynoate CAS Name: 5-amino-2-(4-carbamimidoylphenyl)-4-pentynoic acid (4-amino-1,4-dioxobutyl) ester IUPAC Name: (4-amino-4-oxobutanoyl) 5-amino-2-(4-carbamimidoylphenyl)pent-4-ynoate Traditional Name: 2-(4-amidinophenyl)-5-amino-pent-4-ynoic acid (4-amino-4-keto-butanoyl) ester Formula: C16H18N4O4 MolecularWeight: 330.33852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CC#CN)C(=O)OC(=O)CCC(=O)N)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C(CC#CN)C(=O)OC(=O)CCC(=O)N)C(=N)N

InChI

InChI=1S/C16H18N4O4/c17-9-1-2-12(10-3-5-11(6-4-10)15(19)20)16(23)24-14(22)8-7-13(18)21/h3-6,12H,2,7-8,17H2,(H2,18,21)(H3,19,20)