chempirical

N-(tert-Butyloxycarbonyl)-L-valine ester with N-hydroxysuccinimide

C14H22N2O6CAS 3392-12-9314.34 g/mol

Open in Covalent MOL file
HNOOOONOO
AmideLactam

Properties

Molecular formula
C14H22N2O6
Molar mass
314.34 g/mol
Exact mass
314.1478 Da
Melting point
128–129 °C
logP
1.35Crippen estimate
Polar surface area
105.5 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
3392-12-9
SMILES
CC(C)[C@H](N=C(O)OC(C)(C)C)C(=O)ON1C(=O)CCC1=O
InChIKey
POBDBYGSGKMZPH-NSHDSACASA-N
InChI
InChI=1S/C14H22N2O6/c1-8(2)11(15-13(20)21-14(3,4)5)12(19)22-16-9(17)6-7-10(16)18/h8,11H,6-7H2,1-5H3,(H,15,20)/t11-/m0/s1

Weigh it out

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

Names and synonyms

11 names
  • L-Valine, N-[(1,1-dimethylethoxy)carbonyl]-, 2,5-dioxo-1-pyrrolidinyl ester
  • Succinimide, N-[(N-carboxy-L-valyl)oxy]-, tert-butyl ester
  • Carbamic acid, [1-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]-2-methylpropyl]-, 1,1-dimethylethyl ester, (S)-
  • Carbamic acid, [(1S)-1-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]-2-methylpropyl]-, 1,1-dimethylethyl ester
  • Valine, N-carboxy-, N-tert-butyl ester, succinimido deriv., L-
  • tert-Butoxycarbonyl-L-valine N-hydroxysuccinimide ester
  • N-tert-Butyloxycarbonyl-L-valine N-hydroxysuccinimide ester
  • tert-Butoxycarbonylvaline succinimide ester
  • NSC 164060
  • 38: PN: US20070066537 PAGE: 13 claimed protein
  • (2,5-Dioxopyrrolidin-1-yl) (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

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

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-isoleucine N-hydroxysuccinimide ester3392-08-375 % similar tert-Butyloxycarbonyl-L-alanine-N-hydroxysuccinimide3392-05-073 % similar N-[(1,1-Dimethylethoxy)carbonyl]-L-leucine 2,5-dioxo-1-pyrrolidinyl ester3392-09-467 % similar N-Benzyloxycarbonyl-L-valine N-hydroxysuccinimide ester3496-11-559 % similar N-[(1,1-Dimethylethoxy)carbonyl]-D-phenylalanine 2,5-dioxo-1-pyrrolidinyl ester3674-18-858 % similar Boc-L-valine13734-41-358 % similar N-(tert-Butyloxycarbonyl)glycine N-hydroxysuccinimide ester3392-07-253 % similar L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-O-(phenylmethyl)-, 2,5-dioxo-1-pyrrolidinyl ester34805-19-152 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook