2-[[2-methylpropylcarbamoyl-(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]methyl]-6-phenyl-hexanoic acid

Systemtic Name: 2-[[2-methylpropylcarbamoyl-(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]methyl]-6-phenyl-hexanoic acid Openeye Name: 2-[[(2-hydroxy-1-methyl-2-oxo-ethyl)-(isobutylcarbamoyl)amino]methyl]-6-phenyl-hexanoic acid CAS Name: 2-[[(1-hydroxy-1-oxopropan-2-yl)-[(2-methylpropylamino)-oxomethyl]amino]methyl]-6-phenylhexanoic acid IUPAC Name: 2-[[(1-hydroxy-1-oxopropan-2-yl)-(2-methylpropylcarbamoyl)amino]methyl]-6-phenylhexanoic acid Traditional Name: 2-[[(2-hydroxy-2-keto-1-methyl-ethyl)-(isobutylcarbamoyl)amino]methyl]-6-phenyl-hexanoic acid Formula: C21H32N2O5 MolecularWeight: 392.48918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)N(CC(CCCCC1=CC=CC=C1)C(=O)O)C(C)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)N(CC(CCCCC1=CC=CC=C1)C(=O)O)C(C)C(=O)O

InChI

InChI=1S/C21H32N2O5/c1-15(2)13-22-21(28)23(16(3)19(24)25)14-18(20(26)27)12-8-7-11-17-9-5-4-6-10-17/h4-6,9-10,15-16,18H,7-8,11-14H2,1-3H3,(H,22,28)(H,24,25)(H,26,27)