2-[[2-[4-(4-carbamimidoylphenoxy)butanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4,4-dimethyl-pentanoic acid

Systemtic Name: 2-[[2-[4-(4-carbamimidoylphenoxy)butanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4,4-dimethyl-pentanoic acid Openeye Name: 2-[[2-[4-(4-carbamimidoylphenoxy)butanoylamino]-4-hydroxy-4-oxo-butanoyl]amino]-4,4-dimethyl-pentanoic acid CAS Name: 2-[[2-[[4-(4-carbamimidoylphenoxy)-1-oxobutyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-4,4-dimethylpentanoic acid IUPAC Name: 2-[[2-[4-(4-carbamimidoylphenoxy)butanoylamino]-4-hydroxy-4-oxobutanoyl]amino]-4,4-dimethylpentanoic acid Traditional Name: 2-[[2-[4-(4-amidinophenoxy)butanoylamino]-4-hydroxy-4-keto-butanoyl]amino]-4,4-dimethyl-valeric acid Formula: C22H32N4O7 MolecularWeight: 464.51208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O7/c1-22(2,3)12-16(21(31)32)26-20(30)15(11-18(28)29)25-17(27)5-4-10-33-14-8-6-13(7-9-14)19(23)24/h6-9,15-16H,4-5,10-12H2,1-3H3,(H3,23,24)(H,25,27)(H,26,30)(H,28,29)(H,31,32)