(2R)-2-(phenylmethoxycarbonylamino)-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-3-yl]propanoic acid

Systemtic Name: (2R)-2-(phenylmethoxycarbonylamino)-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-3-yl]propanoic acid Openeye Name: (2R)-2-(benzyloxycarbonylamino)-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-3-yl]propanoic acid CAS Name: (2R)-2-(phenylmethoxycarbonylamino)-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-3-yl]propanoic acid IUPAC Name: (2R)-2-(phenylmethoxycarbonylamino)-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-3-yl]propanoic acid Traditional Name: (2R)-2-(benzyloxycarbonylamino)-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-3-yl]propionic acid Formula: C25H29BN2O6 MolecularWeight: 464.31856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C(=CN3)CC(C(=O)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C(=CN3)C[C@H](C(=O)O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H29BN2O6/c1-24(2)25(3,4)34-26(33-24)18-10-11-19-17(14-27-20(19)13-18)12-21(22(29)30)28-23(31)32-15-16-8-6-5-7-9-16/h5-11,13-14,21,27H,12,15H2,1-4H3,(H,28,31)(H,29,30)/t21-/m1/s1