3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-5-methoxy-pent-4-ynoic acid

Systemtic Name: 3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-5-methoxy-pent-4-ynoic acid Openeye Name: 3-[[4-(4-carbamimidoylanilino)-4-oxo-butanoyl]amino]-5-methoxy-pent-4-ynoic acid CAS Name: 3-[[4-(4-carbamimidoylanilino)-1,4-dioxobutyl]amino]-5-methoxy-4-pentynoic acid IUPAC Name: 3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]-5-methoxypent-4-ynoic acid Traditional Name: 3-[[4-(4-amidinoanilino)-4-keto-butanoyl]amino]-5-methoxy-pent-4-ynoic acid Formula: C17H20N4O5 MolecularWeight: 360.3645

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O5/c1-26-9-8-13(10-16(24)25)21-15(23)7-6-14(22)20-12-4-2-11(3-5-12)17(18)19/h2-5,13H,6-7,10H2,1H3,(H3,18,19)(H,20,22)(H,21,23)(H,24,25)