4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-3-ylcarbonylamino)pentanoic acid; oxidanidyl-[(4,6,6-trimethyl-4-oxidanyl-5-bicyclo[3.1.1]heptanyl)oxy]boron; hydrochloride

Systemtic Name: 4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-3-ylcarbonylamino)pentanoic acid; oxidanidyl-[(4,6,6-trimethyl-4-oxidanyl-5-bicyclo[3.1.1]heptanyl)oxy]boron; hydrochloride Openeye Name: (2-hydroxy-2,6,6-trimethyl-norpinan-1-yl)oxy-oxido-boron; 4-methyl-2-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)pentanoic acid; hydrochloride CAS Name: (4-hydroxy-4,6,6-trimethyl-5-bicyclo[3.1.1]heptanyl)oxy-oxidoboron; 4-methyl-2-[[oxo(1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]amino]pentanoic acid; hydrochloride IUPAC Name: (4-hydroxy-4,6,6-trimethyl-5-bicyclo[3.1.1]heptanyl)oxy-oxidoboron; 4-methyl-2-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)pentanoic acid; hydrochloride Traditional Name: (2-hydroxy-2,6,6-trimethyl-norpinan-1-yl)oxy-oxido-boron; 4-methyl-2-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)valeric acid; hydrochloride Formula: C26H40BClN2O6- MolecularWeight: 522.8696

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Descriptors Computed from Structure

Canonical SMILES:

[B]([O-])OC12CC(C1(C)C)CCC2(C)O.CC(C)CC(C(=O)O)NC(=O)C1CC2=CC=CC=C2CN1.Cl

Isomeric SMILES

[B]([O-])OC12CC(C1(C)C)CCC2(C)O.CC(C)CC(C(=O)O)NC(=O)C1CC2=CC=CC=C2CN1.Cl

InChI

InChI=1S/C16H22N2O3.C10H17BO3.ClH/c1-10(2)7-14(16(20)21)18-15(19)13-8-11-5-3-4-6-12(11)9-17-13;1-8(2)7-4-5-9(3,12)10(8,6-7)14-11-13;/h3-6,10,13-14,17H,7-9H2,1-2H3,(H,18,19)(H,20,21);7,12H,4-6H2,1-3H3;1H/q;-1;