chempirical

N-Benzyloxycarbonyl-L-valine N-hydroxysuccinimide ester

C17H20N2O6CAS 3496-11-5348.36 g/mol

Open in Covalent MOL file
NHOOOONOO
AmideLactam

Properties

Molecular formula
C17H20N2O6
Molar mass
348.36 g/mol
Exact mass
348.1321 Da
Melting point
116–117 °C
logP
1.75Crippen estimate
Polar surface area
105.5 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
3496-11-5
SMILES
CC(C)[C@H](N=C(O)OCc1ccccc1)C(=O)ON1C(=O)CCC1=O
InChIKey
MFAOBGXYLNLLJE-HNNXBMFYSA-N
InChI
InChI=1S/C17H20N2O6/c1-11(2)15(16(22)25-19-13(20)8-9-14(19)21)18-17(23)24-10-12-6-4-3-5-7-12/h3-7,11,15H,8-10H2,1-2H3,(H,18,23)/t15-/m0/s1

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Names and synonyms

8 names
  • L-Valine, N-[(phenylmethoxy)carbonyl]-, 2,5-dioxo-1-pyrrolidinyl ester
  • Succinimide, N-[(N-carboxy-L-valyl)oxy]-, benzyl ester
  • Carbamic acid, [1-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]-2-methylpropyl]-, phenylmethyl ester, (S)-
  • Carbamic acid, [(1S)-1-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]-2-methylpropyl]-, phenylmethyl ester
  • Valine, N-carboxy-, N-benzyl ester, succinimido deriv., L-
  • N-Carbobenzyloxy-L-valine hydroxysuccinimide ester
  • NSC 322480
  • (2,5-Dioxopyrrolidin-1-yl) (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Work with N-Benzyloxycarbonyl-L-valine 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

(2,5-Dioxopyrrolidin-1-yl) (2S)-2-(phenylmethoxycarbonylamino)propanoate3401-36-376 % similar N-[(Phenylmethoxy)carbonyl]-L-leucine 2,5-dioxo-1-pyrrolidinyl ester3397-35-171 % similar Benzyloxycarbonyl-L-valine1149-26-465 % similar N-(Benzyloxycarbonyl)-dl-valine3588-63-465 % similar N-[(Phenylmethoxy)carbonyl]-L-threonine phenylmethyl ester16597-50-559 % similar N-(tert-Butyloxycarbonyl)-L-valine ester with N-hydroxysuccinimide3392-12-959 % similar Phenylmethyl N-[(1S)-1-[[(1-formyl-2-phenylethyl)amino]carbonyl]-2-methylpropyl]carbamate88191-84-858 % similar Carbobenzoxyglycine N-hydroxysuccinimide ester2899-60-756 % similar

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

Elsewhere

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