chempirical

Actinonin

C19H35N3O5CAS 13434-13-4385.51 g/mol

Open in Covalent MOL file
OHNOHONHONOH
AlcoholAmideOxime

Properties

Molecular formula
C19H35N3O5
Molar mass
385.51 g/mol
Exact mass
385.2577 Da
Melting point
148–149 °C
logP
2.88Crippen estimate
Polar surface area
126.0 Ų
H-bond donors / acceptors
4 / 5
Rotatable bonds
11
Stereocentres
R, S, Sin SMILES atom order

Identifiers

CAS number
13434-13-4
SMILES
CCCCC[C@H](CC(O)=NO)C(O)=N[C@H](C(=O)N1CCC[C@H]1CO)C(C)C
InChIKey
XJLATMLVMSFZBN-VYDXJSESSA-N
InChI
InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1

Weigh it out

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

Names and synonyms

8 names
  • Butanediamide, N4-hydroxy-N1-[(1S)-1-[[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]carbonyl]-2-methylpropyl]-2-pentyl-, (2R)-
  • Actinonine
  • Octanohydroxamic acid, 3-[[1-[[2-(hydroxymethyl)-1-pyrrolidinyl]carbonyl]-2-methylpropyl]carbamoyl]-
  • Butanediamide, N4-hydroxy-N1-[1-[[2-(hydroxymethyl)-1-pyrrolidinyl]carbonyl]-2-methylpropyl]-2-pentyl-, stereoisomer
  • (2R)-N4-Hydroxy-N1-[(1S)-1-[[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]carbonyl]-2-methylpropyl]-2-pentylbutanediamide
  • (-)-Actinonin
  • Ro 06-1467
  • CONA 57

Work with Actinonin

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

tert-Butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate170491-63-135 % similar Diprotin A90614-48-532 % similar Octanohydroxamic acid7377-03-930 % similar

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

Elsewhere

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