2-(3-methylbutyl)-4-oxidanyl-6-phenyl-2-(quinoxalin-2-ylcarbonylamino)hexanoic acid

Systemtic Name: 2-(3-methylbutyl)-4-oxidanyl-6-phenyl-2-(quinoxalin-2-ylcarbonylamino)hexanoic acid Openeye Name: 4-hydroxy-2-isopentyl-6-phenyl-2-(quinoxaline-2-carbonylamino)hexanoic acid CAS Name: 4-hydroxy-2-(3-methylbutyl)-2-[[oxo(2-quinoxalinyl)methyl]amino]-6-phenylhexanoic acid IUPAC Name: 4-hydroxy-2-(3-methylbutyl)-6-phenyl-2-(quinoxaline-2-carbonylamino)hexanoic acid Traditional Name: 4-hydroxy-2-isoamyl-6-phenyl-2-(quinoxaline-2-carbonylamino)hexanoic acid Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CC(CCC1=CC=CC=C1)O)(C(=O)O)NC(=O)C2=NC3=CC=CC=C3N=C2

Isomeric SMILES

CC(C)CCC(CC(CCC1=CC=CC=C1)O)(C(=O)O)NC(=O)C2=NC3=CC=CC=C3N=C2

InChI

InChI=1S/C26H31N3O4/c1-18(2)14-15-26(25(32)33,16-20(30)13-12-19-8-4-3-5-9-19)29-24(31)23-17-27-21-10-6-7-11-22(21)28-23/h3-11,17-18,20,30H,12-16H2,1-2H3,(H,29,31)(H,32,33)