chempirical

Salinosporamide A

C15H20ClNO4CAS 437742-34-2313.78 g/mol

Open in Covalent MOL file
OOOHNHOCl
AlcoholAlkeneAlkyl halideEsterLactone

Properties

Molecular formula
C15H20ClNO4
Molar mass
313.78 g/mol
Exact mass
313.1081 Da
Melting point
168–170 °C
logP
1.97Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
4
Stereocentres
S, R, S, S, Rin SMILES atom order

Identifiers

CAS number
437742-34-2
SMILES
C[C@@]12OC(=O)[C@]1([C@@H](O)[C@@H]1C=CCCC1)N=C(O)[C@@H]2CCCl
InChIKey
NGWSFRIPKNWYAO-SHTIJGAHSA-N
InChI
InChI=1S/C15H20ClNO4/c1-14-10(7-8-16)12(19)17-15(14,13(20)21-14)11(18)9-5-3-2-4-6-9/h3,5,9-11,18H,2,4,6-8H2,1H3,(H,17,19)/t9-,10+,11+,14+,15+/m1/s1

Weigh it out

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

Names and synonyms

6 names
  • 6-Oxa-2-azabicyclo[3.2.0]heptane-3,7-dione, 4-(2-chloroethyl)-1-[(S)-(1S)-2-cyclohexen-1-ylhydroxymethyl]-5-methyl-, (1R,4R,5S)-
  • (1R,4R,5S)-4-(2-Chloroethyl)-1-[(S)-(1S)-2-cyclohexen-1-ylhydroxymethyl]-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
  • (-)-Salinosporamide A
  • NPI 0052
  • ML 858
  • Marizomib

Work with Salinosporamide A

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

Same formula

(βR)-4-Chloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid218608-96-9 (βS)-4-Chloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid270596-42-4

Elsewhere

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