[(1R)-2-(3-cyanophenyl)-1-[[(2S)-1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]ethyl]boronic acid

Systemtic Name: [(1R)-2-(3-cyanophenyl)-1-[[(2S)-1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]ethyl]boronic acid Openeye Name: [(1R)-1-[[(2S)-1-[(2R)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]-2-(3-cyanophenyl)ethyl]boronic acid CAS Name: [(1R)-2-(3-cyanophenyl)-1-[[[(2S)-1-[(2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinyl]-oxomethyl]amino]ethyl]boronic acid IUPAC Name: [(1R)-2-(3-cyanophenyl)-1-[[(2S)-1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]ethyl]boronic acid Traditional Name: [(1R)-1-[[(2S)-1-[(2R)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]prolyl]amino]-2-(3-cyanophenyl)ethyl]boronic acid Formula: C28H35BN4O6 MolecularWeight: 534.4117

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(C(CC1=CC=CC(=C1)C#N)NC(=O)C2CCCN2C(=O)C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C)(O)O

Isomeric SMILES

B([C@H](CC1=CC=CC(=C1)C#N)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)(O)O

InChI

InChI=1S/C28H35BN4O6/c1-28(2,3)39-27(36)31-22(16-19-9-5-4-6-10-19)26(35)33-14-8-13-23(33)25(34)32-24(29(37)38)17-20-11-7-12-21(15-20)18-30/h4-7,9-12,15,22-24,37-38H,8,13-14,16-17H2,1-3H3,(H,31,36)(H,32,34)/t22-,23+,24+/m1/s1