Oprozomib

C₂₅H₃₂N₄O₇SCAS 935888-69-0532.61 g/mol

Open in Covalent MOL file

Epoxide Ether Ketone

Properties

Molecular formula: C₂₅H₃₂N₄O₇S
Molar mass: 532.61 g/mol
Exact mass: 532.1992 Da
logP: 2.67Crippen estimate
Polar surface area: 158.7 Å²
H-bond donors / acceptors: 3 / 9
Rotatable bonds: 14
Stereocentres: S, S, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

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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 Boc-L-phenylalanine13734-34-432 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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