chempirical

N-(tert-Butyloxycarbonyl)-L-isoleucine N-hydroxysuccinimide ester

C15H24N2O6CAS 3392-08-3328.37 g/mol

Open in Covalent MOL file
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AmideLactam

Properties

Molecular formula
C15H24N2O6
Molar mass
328.37 g/mol
Exact mass
328.1634 Da
Melting point
92–93 °C
logP
1.74Crippen estimate
Polar surface area
105.5 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
5
Stereocentres
S, Sin SMILES atom order

Identifiers

CAS number
3392-08-3
SMILES
CC[C@H](C)[C@H](N=C(O)OC(C)(C)C)C(=O)ON1C(=O)CCC1=O
InChIKey
FATJLEZSGFVHQA-CABZTGNLSA-N
InChI
InChI=1S/C15H24N2O6/c1-6-9(2)12(16-14(21)22-15(3,4)5)13(20)23-17-10(18)7-8-11(17)19/h9,12H,6-8H2,1-5H3,(H,16,21)/t9-,12-/m0/s1

Weigh it out

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

Names and synonyms

9 names
  • L-Isoleucine, N-[(1,1-dimethylethoxy)carbonyl]-, 2,5-dioxo-1-pyrrolidinyl ester
  • Succinimide, N-[(N-carboxy-L-isoleucyl)oxy]-, tert-butyl ester
  • Carbamic acid, [1-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]-2-methylbutyl]-, 1,1-dimethylethyl ester, [S-(R*,R*)]-
  • Carbamic acid, [(1S,2S)-1-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]-2-methylbutyl]-, 1,1-dimethylethyl ester
  • L-Isoleucine, 2,5-pyrrolidinedione deriv.
  • N-(tert-Butoxycarbonyl)-L-isoleucine succinimide ester
  • 2,5-Pyrrolidinedione, 1-[[N-[(1,1-dimethylethoxy)carbonyl]-L-isoleucyl]oxy]-
  • NSC 334339
  • 33: PN: US20070066537 PAGE: 12 claimed protein

Work with N-(tert-Butyloxycarbonyl)-L-isoleucine N-hydroxysuccinimide ester

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-(tert-Butyloxycarbonyl)-L-valine ester with N-hydroxysuccinimide3392-12-975 % similar tert-Butyloxycarbonyl-L-alanine-N-hydroxysuccinimide3392-05-067 % similar tert-Butoxycarbonyl-L-isoleucine13139-16-763 % similar N-[(1,1-Dimethylethoxy)carbonyl]-D-phenylalanine 2,5-dioxo-1-pyrrolidinyl ester3674-18-854 % similar N-(tert-Butyloxycarbonyl)glycine N-hydroxysuccinimide ester3392-07-249 % similar L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-O-(phenylmethyl)-, 2,5-dioxo-1-pyrrolidinyl ester34805-19-147 % similar (2S)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]butanoic acid34306-42-846 % similar N-(tert-Butoxycarbonyl)-L-glutamic acid 1-tert-butyl ester24277-39-245 % similar

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

Same formula

N-[(1,1-Dimethylethoxy)carbonyl]-L-leucine 2,5-dioxo-1-pyrrolidinyl ester3392-09-4

Elsewhere

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