5-[[5-[1-[(4-carbamimidoylphenyl)amino]-2-oxidanyl-2-oxidanylidene-ethyl]-2-methoxy-phenyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[5-[1-[(4-carbamimidoylphenyl)amino]-2-oxidanyl-2-oxidanylidene-ethyl]-2-methoxy-phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[5-[1-(4-carbamimidoylanilino)-2-hydroxy-2-oxo-ethyl]-2-methoxy-anilino]-5-oxo-pentanoic acid CAS Name: 5-[5-[1-(4-carbamimidoylanilino)-2-hydroxy-2-oxoethyl]-2-methoxyanilino]-5-oxopentanoic acid IUPAC Name: 5-[5-[1-(4-carbamimidoylanilino)-2-hydroxy-2-oxoethyl]-2-methoxyanilino]-5-oxopentanoic acid Traditional Name: 5-[5-[1-(4-amidinoanilino)-2-hydroxy-2-keto-ethyl]-2-methoxy-anilino]-5-keto-valeric acid Formula: C21H24N4O6 MolecularWeight: 428.43846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)NC(=O)CCCC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)NC(=O)CCCC(=O)O

InChI

InChI=1S/C21H24N4O6/c1-31-16-10-7-13(11-15(16)25-17(26)3-2-4-18(27)28)19(21(29)30)24-14-8-5-12(6-9-14)20(22)23/h5-11,19,24H,2-4H2,1H3,(H3,22,23)(H,25,26)(H,27,28)(H,29,30)