chempirical

Bortezomib

C19H25BN4O4CAS 179324-69-7384.24 g/mol

Open in Covalent MOL file
NHOHNONNBOHHO
Boronic acid

Properties

Molecular formula
C19H25BN4O4
Molar mass
384.24 g/mol
Exact mass
384.1969 Da
logP
1.78Crippen estimate
Polar surface area
131.4 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
9
Stereocentres
R, Sin SMILES atom order

Identifiers

CAS number
179324-69-7
SMILES
CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)c1cnccn1)B(O)O
InChIKey
GXJABQQUPOEUTA-RDJZCZTQSA-N
InChI
InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

15 names · show all
  • Boronic acid, B-[(1R)-3-methyl-1-[[(2S)-1-oxo-3-phenyl-2-[(2-pyrazinylcarbonyl)amino]propyl]amino]butyl]-
  • Boronic acid, [3-methyl-1-[[1-oxo-3-phenyl-2-[(pyrazinylcarbonyl)amino]propyl]amino]butyl]-, [S-(R*,S*)]-
  • Boronic acid, [(1R)-3-methyl-1-[[(2S)-1-oxo-3-phenyl-2-[(pyrazinylcarbonyl)amino]propyl]amino]butyl]-
  • B-[(1R)-3-Methyl-1-[[(2S)-1-oxo-3-phenyl-2-[(2-pyrazinylcarbonyl)amino]propyl]amino]butyl]boronic acid
  • PS 341
  • PS 341 (pharmaceutical)
  • MG 341
  • LDP 341
  • MLN 341
  • Velcade
  • NSC 681239
  • DPBA
  • Radiciol
  • PS 314
  • Brotezamide

Work with Bortezomib

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Delanzomib847499-27-849 % similar N-Benzoyl-dl-leucine17966-67-539 % similar N-(Pyrazinylcarbonyl)-L-phenylalanine114457-94-238 % similar Ubenimex58970-76-638 % similar 5-(Phenylmethyl)-2,4-imidazolidinedione3530-82-337 % similar Bestatin hydrochloride65391-42-636 % similar N-Formylmethionine-leucyl-phenylalanine59880-97-635 % similar Oprozomib935888-69-035 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook