chempirical

Oprozomib

C25H32N4O7SCAS 935888-69-0532.61 g/mol

Open in Covalent MOL file
OHNONSONHOONHOO
EpoxideEtherKetone

Properties

Molecular formula
C25H32N4O7S
Molar mass
532.61 g/mol
Exact mass
532.1992 Da
logP
2.67Crippen estimate
Polar surface area
158.7 Ų
H-bond donors / acceptors
3 / 9
Rotatable bonds
14
Stereocentres
S, S, S, Rin SMILES atom order

Identifiers

CAS number
935888-69-0
SMILES
COC[C@H](N=C(O)c1cnc(C)s1)C(O)=N[C@@H](COC)C(O)=N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1
InChIKey
SWZXEVABPLUDIO-WSZYKNRRSA-N
InChI
InChI=1S/C25H32N4O7S/c1-15-26-11-20(37-15)24(33)29-19(13-35-4)23(32)28-18(12-34-3)22(31)27-17(21(30)25(2)14-36-25)10-16-8-6-5-7-9-16/h5-9,11,17-19H,10,12-14H2,1-4H3,(H,27,31)(H,28,32)(H,29,33)/t17-,18-,19-,25+/m0/s1

Weigh it out

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

Names and synonyms

5 names
  • L-Serinamide, O-methyl-N-[(2-methyl-5-thiazolyl)carbonyl]-L-seryl-O-methyl-N-[(1S)-2-[(2R)-2-methyl-2-oxiranyl]-2-oxo-1-(phenylmethyl)ethyl]-
  • O-Methyl-N-[(2-methyl-5-thiazolyl)carbonyl]-L-seryl-O-methyl-N-[(1S)-2-[(2R)-2-methyl-2-oxiranyl]-2-oxo-1-(phenylmethyl)ethyl]-L-serinamide
  • ONX 0912
  • PR 047
  • ONX-912

Work with Oprozomib

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

N-[(1,1-Dimethylethoxy)carbonyl]-L-phenylalanyl-L-phenylalanine13122-90-239 % similar Lacosamide175481-36-436 % similar Bortezomib179324-69-735 % similar Aspartame22839-47-033 % similar Alanylphenylalanine1999-45-733 % similar L-Alanyl-L-phenylalanine3061-90-333 % similar Neotame165450-17-933 % similar N-tert-Butoxycarbonyl-D-phenylalanine18942-49-932 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook