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

Systemtic Name: 2-[1-[2-[[(4-carbamimidoylphenyl)carbonylamino]methyl]hexanoyl]piperidin-4-yl]ethanoic acid Openeye Name: 2-[1-[2-[[(4-carbamimidoylbenzoyl)amino]methyl]hexanoyl]-4-piperidyl]acetic acid CAS Name: 2-[1-[2-[[[(4-carbamimidoylphenyl)-oxomethyl]amino]methyl]-1-oxohexyl]-4-piperidinyl]acetic acid IUPAC Name: 2-[1-[2-[[(4-carbamimidoylbenzoyl)amino]methyl]hexanoyl]piperidin-4-yl]acetic acid Traditional Name: 2-[1-[2-[[(4-amidinobenzoyl)amino]methyl]hexanoyl]-4-piperidyl]acetic acid Formula: C22H32N4O4 MolecularWeight: 416.51388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O4/c1-2-3-4-18(22(30)26-11-9-15(10-12-26)13-19(27)28)14-25-21(29)17-7-5-16(6-8-17)20(23)24/h5-8,15,18H,2-4,9-14H2,1H3,(H3,23,24)(H,25,29)(H,27,28)