[(1R)-1-[[(2S)-2-[[5-[[(2R)-1-[[(1S)-1-(dihydroxyboranyl)-3-methyl-butyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]pyrazin-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]-3-methyl-butyl]boronic acid

Systemtic Name: [(1R)-1-[[(2S)-2-[[5-[[(2R)-1-[[(1S)-1-(dihydroxyboranyl)-3-methyl-butyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]pyrazin-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]-3-methyl-butyl]boronic acid Openeye Name: [(1R)-1-[[(2S)-2-[[5-[[(1R)-1-benzyl-2-[[(1S)-1-borono-3-methyl-butyl]amino]-2-oxo-ethyl]carbamoyl]pyrazine-2-carbonyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butyl]boronic acid CAS Name: [(1R)-1-[[(2S)-2-[[[5-[[[(2R)-1-[[(1S)-1-borono-3-methylbutyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-pyrazinyl]-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-methylbutyl]boronic acid IUPAC Name: [(1R)-1-[[(2S)-2-[[5-[[(2R)-1-[[(1S)-1-borono-3-methylbutyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrazine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-methylbutyl]boronic acid Traditional Name: [(1R)-1-[[(2S)-2-[[5-[[(1R)-1-benzyl-2-[[(1S)-1-borono-3-methyl-butyl]amino]-2-keto-ethyl]carbamoyl]pyrazinoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butyl]boronic acid Formula: C34H46B2N6O8 MolecularWeight: 688.38644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CN=C(C=N2)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(B(O)O)CC(C)C)(O)O

Isomeric SMILES

B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CN=C(C=N2)C(=O)N[C@H](CC3=CC=CC=C3)C(=O)N[C@@H](B(O)O)CC(C)C)(O)O

InChI

InChI=1S/C34H46B2N6O8/c1-21(2)15-29(35(47)48)41-31(43)25(17-23-11-7-5-8-12-23)39-33(45)27-19-38-28(20-37-27)34(46)40-26(18-24-13-9-6-10-14-24)32(44)42-30(36(49)50)16-22(3)4/h5-14,19-22,25-26,29-30,47-50H,15-18H2,1-4H3,(H,39,45)(H,40,46)(H,41,43)(H,42,44)/t25-,26+,29-,30+