N-[2-(1,3-benzothiazol-2-yl)-1-(2-methyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-5-yl)-2-oxidanyl-ethyl]-6-(methylamino)-5-oxidanylidene-6-(phenylmethyl)-2,3,7,8-tetrahydro-1H-[1,2]azaborolo[1,2-a][1,2]azaborinine-3-carboxamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-1-(2-methyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-5-yl)-2-oxidanyl-ethyl]-6-(methylamino)-5-oxidanylidene-6-(phenylmethyl)-2,3,7,8-tetrahydro-1H-[1,2]azaborolo[1,2-a][1,2]azaborinine-3-carboxamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-2-hydroxy-1-(2-methyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-5-yl)ethyl]-6-benzyl-6-(methylamino)-5-oxo-2,3,7,8-tetrahydro-1H-azaborolo[1,2-a]azaborinine-3-carboxamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-2-hydroxy-1-(2-methyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-5-yl)ethyl]-6-(methylamino)-5-oxo-6-(phenylmethyl)-2,3,7,8-tetrahydro-1H-azaborolo[1,2-a]azaborine-3-carboxamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-2-hydroxy-1-(2-methyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-5-yl)ethyl]-6-benzyl-6-(methylamino)-5-oxo-2,3,7,8-tetrahydro-1H-azaborolo[1,2-a]azaborinine-3-carboxamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-2-hydroxy-1-(2-methyl-1,4,5,6-tetrahydrocyclopent[d]imidazol-5-yl)ethyl]-6-benzyl-5-keto-6-(methylamino)-2,3,7,8-tetrahydro-1H-azaborol[1,2-a]azaborine-3-carboxamide Formula: C32H37BN6O3S MolecularWeight: 596.55058

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Descriptors Computed from Structure

Canonical SMILES:

B12CCC(N1C(=O)C(CC2)(CC3=CC=CC=C3)NC)C(=O)NC(C4CC5=C(C4)N=C(N5)C)C(C6=NC7=CC=CC=C7S6)O

Isomeric SMILES

B12CCC(N1C(=O)C(CC2)(CC3=CC=CC=C3)NC)C(=O)NC(C4CC5=C(C4)N=C(N5)C)C(C6=NC7=CC=CC=C7S6)O

InChI

InChI=1S/C32H37BN6O3S/c1-19-35-23-16-21(17-24(23)36-19)27(28(40)30-37-22-10-6-7-11-26(22)43-30)38-29(41)25-12-14-33-15-13-32(34-2,31(42)39(25)33)18-20-8-4-3-5-9-20/h3-11,21,25,27-28,34,40H,12-18H2,1-2H3,(H,35,36)(H,38,41)