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

Systemtic Name: 5-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]pent-4-ynoic acid Openeye Name: 5-[[4-(4-carbamimidoylanilino)-4-oxo-butanoyl]amino]pent-4-ynoic acid CAS Name: 5-[[4-(4-carbamimidoylanilino)-1,4-dioxobutyl]amino]-4-pentynoic acid IUPAC Name: 5-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]pent-4-ynoic acid Traditional Name: 5-[[4-(4-amidinoanilino)-4-keto-butanoyl]amino]pent-4-ynoic acid Formula: C16H18N4O4 MolecularWeight: 330.33852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=N)N)NC(=O)CCC(=O)NC#CCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=N)N)NC(=O)CCC(=O)NC#CCCC(=O)O

InChI

InChI=1S/C16H18N4O4/c17-16(18)11-4-6-12(7-5-11)20-14(22)9-8-13(21)19-10-2-1-3-15(23)24/h4-7H,1,3,8-9H2,(H3,17,18)(H,19,21)(H,20,22)(H,23,24)