5-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]-ethyl-amino]pent-4-ynoic acid

Systemtic Name: 5-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]-ethyl-amino]pent-4-ynoic acid Openeye Name: 5-[[4-(4-carbamimidoylanilino)-4-oxo-butanoyl]-ethyl-amino]pent-4-ynoic acid CAS Name: 5-[[4-(4-carbamimidoylanilino)-1,4-dioxobutyl]-ethylamino]-4-pentynoic acid IUPAC Name: 5-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]-ethylamino]pent-4-ynoic acid Traditional Name: 5-[[4-(4-amidinoanilino)-4-keto-butanoyl]-ethyl-amino]pent-4-ynoic acid Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C#CCCC(=O)O)C(=O)CCC(=O)NC1=CC=C(C=C1)C(=N)N

Isomeric SMILES

CCN(C#CCCC(=O)O)C(=O)CCC(=O)NC1=CC=C(C=C1)C(=N)N

InChI

InChI=1S/C18H22N4O4/c1-2-22(12-4-3-5-17(25)26)16(24)11-10-15(23)21-14-8-6-13(7-9-14)18(19)20/h6-9H,2-3,5,10-11H2,1H3,(H3,19,20)(H,21,23)(H,25,26)