3-[4-(4-carbamimidoylphenoxy)butanoylamino]-4-(3-methylbutan-2-ylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[4-(4-carbamimidoylphenoxy)butanoylamino]-4-(3-methylbutan-2-ylamino)-4-oxidanylidene-butanoic acid Openeye Name: 3-[4-(4-carbamimidoylphenoxy)butanoylamino]-4-(1,2-dimethylpropylamino)-4-oxo-butanoic acid CAS Name: 3-[[4-(4-carbamimidoylphenoxy)-1-oxobutyl]amino]-4-(3-methylbutan-2-ylamino)-4-oxobutanoic acid IUPAC Name: 3-[4-(4-carbamimidoylphenoxy)butanoylamino]-4-(3-methylbutan-2-ylamino)-4-oxobutanoic acid Traditional Name: 3-[4-(4-amidinophenoxy)butanoylamino]-4-(1,2-dimethylpropylamino)-4-keto-butyric acid Formula: C20H30N4O5 MolecularWeight: 406.476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O5/c1-12(2)13(3)23-20(28)16(11-18(26)27)24-17(25)5-4-10-29-15-8-6-14(7-9-15)19(21)22/h6-9,12-13,16H,4-5,10-11H2,1-3H3,(H3,21,22)(H,23,28)(H,24,25)(H,26,27)