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

Systemtic Name: 3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-5-methoxy-5-oxidanylidene-pentanoic acid Openeye Name: 3-[[4-(4-carbamimidoylanilino)-4-oxo-butanoyl]amino]-5-methoxy-5-oxo-pentanoic acid CAS Name: 3-[[4-(4-carbamimidoylanilino)-1,4-dioxobutyl]amino]-5-methoxy-5-oxopentanoic acid IUPAC Name: 3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]-5-methoxy-5-oxopentanoic acid Traditional Name: 3-[[4-(4-amidinoanilino)-4-keto-butanoyl]amino]-5-keto-5-methoxy-valeric acid Formula: C17H22N4O6 MolecularWeight: 378.37978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O6/c1-27-16(26)9-12(8-15(24)25)21-14(23)7-6-13(22)20-11-4-2-10(3-5-11)17(18)19/h2-5,12H,6-9H2,1H3,(H3,18,19)(H,20,22)(H,21,23)(H,24,25)