2-[[2-[4-(4-carbamimidoylphenoxy)butanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]hexanoic acid

Systemtic Name: 2-[[2-[4-(4-carbamimidoylphenoxy)butanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]hexanoic acid Openeye Name: 2-[[2-[4-(4-carbamimidoylphenoxy)butanoylamino]-4-hydroxy-4-oxo-butanoyl]amino]hexanoic acid CAS Name: 2-[[2-[[4-(4-carbamimidoylphenoxy)-1-oxobutyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]hexanoic acid IUPAC Name: 2-[[2-[4-(4-carbamimidoylphenoxy)butanoylamino]-4-hydroxy-4-oxobutanoyl]amino]hexanoic acid Traditional Name: 2-[[2-[4-(4-amidinophenoxy)butanoylamino]-4-hydroxy-4-keto-butanoyl]amino]hexanoic acid Formula: C21H30N4O7 MolecularWeight: 450.4855

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)CCCOC1=CC=C(C=C1)C(=N)N

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)CCCOC1=CC=C(C=C1)C(=N)N

InChI

InChI=1S/C21H30N4O7/c1-2-3-5-15(21(30)31)25-20(29)16(12-18(27)28)24-17(26)6-4-11-32-14-9-7-13(8-10-14)19(22)23/h7-10,15-16H,2-6,11-12H2,1H3,(H3,22,23)(H,24,26)(H,25,29)(H,27,28)(H,30,31)