5-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-2-ethyl-pent-4-ynoic acid

Systemtic Name: 5-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-2-ethyl-pent-4-ynoic acid Openeye Name: 5-[[4-(4-carbamimidoylanilino)-4-oxo-butanoyl]amino]-2-ethyl-pent-4-ynoic acid CAS Name: 5-[[4-(4-carbamimidoylanilino)-1,4-dioxobutyl]amino]-2-ethyl-4-pentynoic acid IUPAC Name: 5-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]-2-ethylpent-4-ynoic acid Traditional Name: 5-[[4-(4-amidinoanilino)-4-keto-butanoyl]amino]-2-ethyl-pent-4-ynoic acid Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O4/c1-2-12(18(25)26)4-3-11-21-15(23)9-10-16(24)22-14-7-5-13(6-8-14)17(19)20/h5-8,12H,2,4,9-10H2,1H3,(H3,19,20)(H,21,23)(H,22,24)(H,25,26)