4-azanyl-2-[[3-[[2-(4-carbamimidoylpiperazin-1-yl)-2-oxidanylidene-ethanoyl]amino]phenyl]carbonyl-methyl-amino]-2-methyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[[3-[[2-(4-carbamimidoylpiperazin-1-yl)-2-oxidanylidene-ethanoyl]amino]phenyl]carbonyl-methyl-amino]-2-methyl-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[3-[[2-(4-carbamimidoylpiperazin-1-yl)-2-oxo-acetyl]amino]benzoyl]-methyl-amino]-2-methyl-4-oxo-butanoic acid CAS Name: 4-amino-2-[[[3-[[2-(4-carbamimidoyl-1-piperazinyl)-1,2-dioxoethyl]amino]phenyl]-oxomethyl]-methylamino]-2-methyl-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[3-[[2-(4-carbamimidoylpiperazin-1-yl)-2-oxoacetyl]amino]benzoyl]-methylamino]-2-methyl-4-oxobutanoic acid Traditional Name: 2-[[3-[[2-(4-amidinopiperazino)-2-keto-acetyl]amino]benzoyl]-methyl-amino]-4-amino-4-keto-2-methyl-butyric acid Formula: C20H27N7O6 MolecularWeight: 461.47168

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N)(C(=O)O)N(C)C(=O)C1=CC(=CC=C1)NC(=O)C(=O)N2CCN(CC2)C(=N)N

Isomeric SMILES

CC(CC(=O)N)(C(=O)O)N(C)C(=O)C1=CC(=CC=C1)NC(=O)C(=O)N2CCN(CC2)C(=N)N

InChI

InChI=1S/C20H27N7O6/c1-20(18(32)33,11-14(21)28)25(2)16(30)12-4-3-5-13(10-12)24-15(29)17(31)26-6-8-27(9-7-26)19(22)23/h3-5,10H,6-9,11H2,1-2H3,(H2,21,28)(H3,22,23)(H,24,29)(H,32,33)