N-dimethyl-N-[2-oxidanylidene-1-phenyl-2-[6-phenylmethoxy-1-(4-pyrrolidin-1-ylpiperidin-1-yl)carbonyl-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]boronamidic acid

Systemtic Name: N-dimethyl-N-[2-oxidanylidene-1-phenyl-2-[6-phenylmethoxy-1-(4-pyrrolidin-1-ylpiperidin-1-yl)carbonyl-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]boronamidic acid Openeye Name: N-[2-[6-benzyloxy-1-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-1-phenyl-ethyl]-N-dimethyl-boronamidic acid CAS Name: N-dimethyl-N-[2-oxo-2-[1-[oxo-[4-(1-pyrrolidinyl)-1-piperidinyl]methyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-1-phenylethyl]boronamidic acid IUPAC Name: N-dimethyl-N-[2-oxo-1-phenyl-2-[6-phenylmethoxy-1-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]boronamidic acid Traditional Name: N-[2-[6-benzoxy-1-(4-pyrrolidinopiperidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-keto-1-phenyl-ethyl]-N-dimethyl-boronamidic acid Formula: C36H45BN4O4 MolecularWeight: 608.5779

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(N(C)C(C1=CC=CC=C1)C(=O)N2CCC3=C(C2C(=O)N4CCC(CC4)N5CCCC5)C=CC(=C3)OCC6=CC=CC=C6)O

Isomeric SMILES

B(C)(N(C)C(C1=CC=CC=C1)C(=O)N2CCC3=C(C2C(=O)N4CCC(CC4)N5CCCC5)C=CC(=C3)OCC6=CC=CC=C6)O

InChI

InChI=1S/C36H45BN4O4/c1-37(44)38(2)33(28-13-7-4-8-14-28)36(43)41-24-17-29-25-31(45-26-27-11-5-3-6-12-27)15-16-32(29)34(41)35(42)40-22-18-30(19-23-40)39-20-9-10-21-39/h3-8,11-16,25,30,33-34,44H,9-10,17-24,26H2,1-2H3