2-[[4-(dodecylcarbamoyl)phenyl]methyl-[(1-hexanoylpiperidin-4-yl)methyl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[4-(dodecylcarbamoyl)phenyl]methyl-[(1-hexanoylpiperidin-4-yl)methyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[[4-(dodecylcarbamoyl)phenyl]methyl-[(1-hexanoyl-4-piperidyl)methyl]amino]-2-oxo-acetic acid CAS Name: 2-[[4-[(dodecylamino)-oxomethyl]phenyl]methyl-[[1-(1-oxohexyl)-4-piperidinyl]methyl]amino]-2-oxoacetic acid IUPAC Name: 2-[[4-(dodecylcarbamoyl)phenyl]methyl-[(1-hexanoylpiperidin-4-yl)methyl]amino]-2-oxoacetic acid Traditional Name: 2-[(1-caproyl-4-piperidyl)methyl-[4-(laurylcarbamoyl)benzyl]amino]-2-keto-acetic acid Formula: C34H55N3O5 MolecularWeight: 585.8176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=O)C1=CC=C(C=C1)CN(CC2CCN(CC2)C(=O)CCCCC)C(=O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCNC(=O)C1=CC=C(C=C1)CN(CC2CCN(CC2)C(=O)CCCCC)C(=O)C(=O)O

InChI

InChI=1S/C34H55N3O5/c1-3-5-7-8-9-10-11-12-13-15-23-35-32(39)30-19-17-28(18-20-30)26-37(33(40)34(41)42)27-29-21-24-36(25-22-29)31(38)16-14-6-4-2/h17-20,29H,3-16,21-27H2,1-2H3,(H,35,39)(H,41,42)