2-[1-[2-[[(4-carbamimidoylphenyl)carbonylamino]methyl]-3-methyl-butanoyl]piperidin-4-yl]ethanoic acid

Systemtic Name: 2-[1-[2-[[(4-carbamimidoylphenyl)carbonylamino]methyl]-3-methyl-butanoyl]piperidin-4-yl]ethanoic acid Openeye Name: 2-[1-[2-[[(4-carbamimidoylbenzoyl)amino]methyl]-3-methyl-butanoyl]-4-piperidyl]acetic acid CAS Name: 2-[1-[2-[[[(4-carbamimidoylphenyl)-oxomethyl]amino]methyl]-3-methyl-1-oxobutyl]-4-piperidinyl]acetic acid IUPAC Name: 2-[1-[2-[[(4-carbamimidoylbenzoyl)amino]methyl]-3-methylbutanoyl]piperidin-4-yl]acetic acid Traditional Name: 2-[1-[2-[[(4-amidinobenzoyl)amino]methyl]-3-methyl-butanoyl]-4-piperidyl]acetic acid Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)C1=CC=C(C=C1)C(=N)N)C(=O)N2CCC(CC2)CC(=O)O

Isomeric SMILES

CC(C)C(CNC(=O)C1=CC=C(C=C1)C(=N)N)C(=O)N2CCC(CC2)CC(=O)O

InChI

InChI=1S/C21H30N4O4/c1-13(2)17(21(29)25-9-7-14(8-10-25)11-18(26)27)12-24-20(28)16-5-3-15(4-6-16)19(22)23/h3-6,13-14,17H,7-12H2,1-2H3,(H3,22,23)(H,24,28)(H,26,27)