Narlaprevir

C36H61N5O7SCAS 865466-24-6707.97 g/mol

Open in Covalent MOL file
HNONONHONHSOOOONH
AmideKetoneSulfone

Properties

Molecular formula
C36H61N5O7S
Molar mass
707.97 g/mol
Exact mass
707.4292 Da
logP
4.67Crippen estimate
Polar surface area
177.8 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
13
Stereocentres
S, S, R, S, Sin SMILES atom order

Hazards

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

Search the SDS library

Identifiers

CAS number
865466-24-6
SMILES
CCCC[C@H](N=C(O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](N=C(O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1
InChIKey
RICZEKWVNZFTNZ-LFGITCQGSA-N
InChI
InChI=1S/C36H61N5O7S/c1-10-11-15-24(27(42)30(44)37-22-16-17-22)38-29(43)26-25-23(35(25,8)9)20-41(26)31(45)28(33(2,3)4)39-32(46)40-36(18-13-12-14-19-36)21-49(47,48)34(5,6)7/h22-26,28H,10-21H2,1-9H3,(H,37,44)(H,38,43)(H2,39,40,46)/t23-,24-,25-,26-,28+/m0/s1

Weigh it out

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

Names and synonyms

3 names
  • 3-Azabicyclo[3.1.0]hexane-2-carboxamide, N-[(1S)-1-[2-(cyclopropylamino)-2-oxoacetyl]pentyl]-3-[(2S)-2-[[[[1-[[(1,1-dimethylethyl)sulfonyl]methyl]cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-, (1R,2S,5S)-
  • 3-Azabicyclo[3.1.0]hexane-2-carboxamide, N-[(1S)-1-[(cyclopropylamino)oxoacetyl]pentyl]-3-[(2S)-2-[[[[1-[[(1,1-dimethylethyl)sulfonyl]methyl]cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-, (1R,2S,5S)-
  • Sch 900518

Work with Narlaprevir

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

Boceprevir394730-60-050 % similar Telaprevir402957-28-245 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook