2-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]pent-4-ynoic acid

Systemtic Name: 2-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]pent-4-ynoic acid Openeye Name: 2-[[4-(4-carbamimidoylanilino)-4-oxo-butanoyl]amino]pent-4-ynoic acid CAS Name: 2-[[4-(4-carbamimidoylanilino)-1,4-dioxobutyl]amino]-4-pentynoic acid IUPAC Name: 2-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]pent-4-ynoic acid Traditional Name: 2-[[4-(4-amidinoanilino)-4-keto-butanoyl]amino]pent-4-ynoic acid Formula: C16H18N4O4 MolecularWeight: 330.33852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCC(C(=O)O)NC(=O)CCC(=O)NC1=CC=C(C=C1)C(=N)N

Isomeric SMILES

C#CCC(C(=O)O)NC(=O)CCC(=O)NC1=CC=C(C=C1)C(=N)N

InChI

InChI=1S/C16H18N4O4/c1-2-3-12(16(23)24)20-14(22)9-8-13(21)19-11-6-4-10(5-7-11)15(17)18/h1,4-7,12H,3,8-9H2,(H3,17,18)(H,19,21)(H,20,22)(H,23,24)