bis(oxidanyl)boron; 2-[(2-ethanoyl-3,4-dihydro-1H-isoquinolin-3-yl)carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: bis(oxidanyl)boron; 2-[(2-ethanoyl-3,4-dihydro-1H-isoquinolin-3-yl)carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[(2-acetyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]-4-methyl-pentanoic acid; dihydroxyboron CAS Name: 2-[[(2-acetyl-3,4-dihydro-1H-isoquinolin-3-yl)-oxomethyl]amino]-4-methylpentanoic acid; dihydroxyboron IUPAC Name: 2-[(2-acetyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]-4-methylpentanoic acid; dihydroxyboron Traditional Name: 2-[(2-acetyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]-4-methyl-valeric acid; dihydroxyboron Formula: C18H26BN2O6 MolecularWeight: 377.21984

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Descriptors Computed from Structure

Canonical SMILES:

[B](O)O.CC(C)CC(C(=O)O)NC(=O)C1CC2=CC=CC=C2CN1C(=O)C

Isomeric SMILES

[B](O)O.CC(C)CC(C(=O)O)NC(=O)C1CC2=CC=CC=C2CN1C(=O)C

InChI

InChI=1S/C18H24N2O4.BH2O2/c1-11(2)8-15(18(23)24)19-17(22)16-9-13-6-4-5-7-14(13)10-20(16)12(3)21;2-1-3/h4-7,11,15-16H,8-10H2,1-3H3,(H,19,22)(H,23,24);2-3H