2-[1-[2-[butyl-(4-carbamimidoylphenyl)carbonyl-amino]-2-methyl-butanoyl]piperidin-4-yl]ethanoic acid

Systemtic Name: 2-[1-[2-[butyl-(4-carbamimidoylphenyl)carbonyl-amino]-2-methyl-butanoyl]piperidin-4-yl]ethanoic acid Openeye Name: 2-[1-[2-[butyl-(4-carbamimidoylbenzoyl)amino]-2-methyl-butanoyl]-4-piperidyl]acetic acid CAS Name: 2-[1-[2-[butyl-[(4-carbamimidoylphenyl)-oxomethyl]amino]-2-methyl-1-oxobutyl]-4-piperidinyl]acetic acid IUPAC Name: 2-[1-[2-[butyl-(4-carbamimidoylbenzoyl)amino]-2-methylbutanoyl]piperidin-4-yl]acetic acid Traditional Name: 2-[1-[2-[(4-amidinobenzoyl)-butyl-amino]-2-methyl-butanoyl]-4-piperidyl]acetic acid Formula: C24H36N4O4 MolecularWeight: 444.56704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H36N4O4/c1-4-6-13-28(22(31)19-9-7-18(8-10-19)21(25)26)24(3,5-2)23(32)27-14-11-17(12-15-27)16-20(29)30/h7-10,17H,4-6,11-16H2,1-3H3,(H3,25,26)(H,29,30)