2-[[2-[4-[(4-carbamimidoylphenyl)carbonylamino]butanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[2-[4-[(4-carbamimidoylphenyl)carbonylamino]butanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[4-[(4-carbamimidoylbenzoyl)amino]butanoylamino]-4-hydroxy-4-oxo-butanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[[4-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1-oxobutyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[4-[(4-carbamimidoylbenzoyl)amino]butanoylamino]-4-hydroxy-4-oxobutanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[4-[(4-amidinobenzoyl)amino]butanoylamino]-4-hydroxy-4-keto-butanoyl]amino]-3-methyl-butyric acid Formula: C21H29N5O7 MolecularWeight: 463.48426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O7/c1-11(2)17(21(32)33)26-20(31)14(10-16(28)29)25-15(27)4-3-9-24-19(30)13-7-5-12(6-8-13)18(22)23/h5-8,11,14,17H,3-4,9-10H2,1-2H3,(H3,22,23)(H,24,30)(H,25,27)(H,26,31)(H,28,29)(H,32,33)