[(3R,5S)-1-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-5-[(2-oxidanyl-1,2-oxaborolan-3-yl)carbamoyl]pyrrolidin-3-yl] 4-fluoranyl-1,3-dihydroisoindole-2-carboxylate

Systemtic Name: [(3R,5S)-1-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-5-[(2-oxidanyl-1,2-oxaborolan-3-yl)carbamoyl]pyrrolidin-3-yl] 4-fluoranyl-1,3-dihydroisoindole-2-carboxylate Openeye Name: [(3R,5S)-1-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-5-[(2-hydroxyoxaborolan-3-yl)carbamoyl]pyrrolidin-3-yl] 4-fluoroisoindoline-2-carboxylate CAS Name: 4-fluoro-1,3-dihydroisoindole-2-carboxylic acid [(3R,5S)-1-[(2S)-2-[[(tert-butylamino)-oxomethyl]amino]-3,3-dimethyl-1-oxobutyl]-5-[[(2-hydroxy-3-oxaborolanyl)amino]-oxomethyl]-3-pyrrolidinyl] ester IUPAC Name: [(3R,5S)-1-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-5-[(2-hydroxyoxaborolan-3-yl)carbamoyl]pyrrolidin-3-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate Traditional Name: 4-fluoroisoindoline-2-carboxylic acid [(3R,5S)-1-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-5-[(2-hydroxyoxaborolan-3-yl)carbamoyl]pyrrolidin-3-yl] ester Formula: C28H41BFN5O7 MolecularWeight: 589.463843

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Descriptors Computed from Structure

Canonical SMILES:

B1(C(CCO1)NC(=O)C2CC(CN2C(=O)C(C(C)(C)C)NC(=O)NC(C)(C)C)OC(=O)N3CC4=C(C3)C(=CC=C4)F)O

Isomeric SMILES

B1(C(CCO1)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)OC(=O)N3CC4=C(C3)C(=CC=C4)F)O

InChI

InChI=1S/C28H41BFN5O7/c1-27(2,3)22(32-25(38)33-28(4,5)6)24(37)35-14-17(12-20(35)23(36)31-21-10-11-41-29(21)40)42-26(39)34-13-16-8-7-9-19(30)18(16)15-34/h7-9,17,20-22,40H,10-15H2,1-6H3,(H,31,36)(H2,32,33,38)/t17-,20+,21?,22-/m1/s1