2-[[2-[5-(4-carbamimidoylphenoxy)pentanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[2-[5-(4-carbamimidoylphenoxy)pentanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[5-(4-carbamimidoylphenoxy)pentanoylamino]-4-hydroxy-4-oxo-butanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[[5-(4-carbamimidoylphenoxy)-1-oxopentyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[5-(4-carbamimidoylphenoxy)pentanoylamino]-4-hydroxy-4-oxobutanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[5-(4-amidinophenoxy)pentanoylamino]-4-hydroxy-4-keto-butanoyl]amino]-3-methyl-butyric acid Formula: C21H30N4O7 MolecularWeight: 450.4855

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)CCCCOC1=CC=C(C=C1)C(=N)N

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)CCCCOC1=CC=C(C=C1)C(=N)N

InChI

InChI=1S/C21H30N4O7/c1-12(2)18(21(30)31)25-20(29)15(11-17(27)28)24-16(26)5-3-4-10-32-14-8-6-13(7-9-14)19(22)23/h6-9,12,15,18H,3-5,10-11H2,1-2H3,(H3,22,23)(H,24,26)(H,25,29)(H,27,28)(H,30,31)