chempirical

Vx 765

C24H33ClN4O6CAS 273404-37-8509.00 g/mol

Open in Covalent MOL file
OOONHONONHONH2Cl
AcetalAmideAryl halideEsterEtherLactonePrimary amine

Properties

Molecular formula
C24H33ClN4O6
Molar mass
509.00 g/mol
Exact mass
508.2089 Da
logP
3.27Crippen estimate
Polar surface area
147.0 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
7
Stereocentres
R, S, S, Sin SMILES atom order

Identifiers

CAS number
273404-37-8
SMILES
CCO[C@@H]1OC(=O)C[C@@H]1N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N=C(O)c1ccc(N)c(Cl)c1)C(C)(C)C
InChIKey
SJDDOCKBXFJEJB-MOKWFATOSA-N
InChI
InChI=1S/C24H33ClN4O6/c1-5-34-23-16(12-18(30)35-23)27-21(32)17-7-6-10-29(17)22(33)19(24(2,3)4)28-20(31)13-8-9-15(26)14(25)11-13/h8-9,11,16-17,19,23H,5-7,10,12,26H2,1-4H3,(H,27,32)(H,28,31)/t16-,17-,19+,23+/m0/s1

Weigh it out

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

Names and synonyms

3 names
  • L-Prolinamide, N-(4-amino-3-chlorobenzoyl)-3-methyl-L-valyl-N-[(2R,3S)-2-ethoxytetrahydro-5-oxo-3-furanyl]-
  • N-(4-Amino-3-chlorobenzoyl)-3-methyl-L-valyl-N-[(2R,3S)-2-ethoxytetrahydro-5-oxo-3-furanyl]-L-prolinamide
  • Belnacasan

Work with Vx 765

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

1-(2-Phenylacetyl)-L-prolylglycine ethy ester157115-85-034 % similar Ximelagatran192939-46-131 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook