chempirical

N-[(1,1-Dimethylethoxy)carbonyl]-D-phenylalanine 2,5-dioxo-1-pyrrolidinyl ester

C18H22N2O6CAS 3674-18-8362.38 g/mol

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OOHNOONOO
AmideLactam

Properties

Molecular formula
C18H22N2O6
Molar mass
362.38 g/mol
Exact mass
362.1478 Da
Melting point
152–153 °C
logP
1.93Crippen estimate
Polar surface area
105.5 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
5
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
3674-18-8
SMILES
CC(C)(C)OC(O)=N[C@H](Cc1ccccc1)C(=O)ON1C(=O)CCC1=O
InChIKey
NHUCANAMPJGMQL-CYBMUJFWSA-N
InChI
InChI=1S/C18H22N2O6/c1-18(2,3)25-17(24)19-13(11-12-7-5-4-6-8-12)16(23)26-20-14(21)9-10-15(20)22/h4-8,13H,9-11H2,1-3H3,(H,19,24)/t13-/m1/s1

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Names and synonyms

6 names
  • D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-, 2,5-dioxo-1-pyrrolidinyl ester
  • Succinimide, N-[(N-carboxy-3-phenyl-D-alanyl)oxy]-, tert-butyl ester
  • Carbamic acid, [2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-2-oxo-1-(phenylmethyl)ethyl]-, 1,1-dimethylethyl ester, (R)-
  • Carbamic acid, [(1R)-2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-2-oxo-1-(phenylmethyl)ethyl]-, 1,1-dimethylethyl ester
  • tert-Butyloxycarbonyl-(R)-phenylalanine N-hydroxysuccinimide ester
  • Boc-D-phe-OSu

Work with N-[(1,1-Dimethylethoxy)carbonyl]-D-phenylalanine 2,5-dioxo-1-pyrrolidinyl 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

L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-O-(phenylmethyl)-, 2,5-dioxo-1-pyrrolidinyl ester34805-19-184 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-N6-[(phenylmethoxy)carbonyl]-L-lysine 2,5-dioxo-1-pyrrolidinyl ester34404-36-968 % similar N-tert-Butoxycarbonyl-D-phenylalanine18942-49-965 % similar N-[(1,1-Dimethylethoxy)carbonyl]-L-leucine 2,5-dioxo-1-pyrrolidinyl ester3392-09-465 % similar N-Boc phenylalanyl chloride102123-74-061 % similar tert-Butyloxycarbonyl-L-alanine-N-hydroxysuccinimide3392-05-060 % similar N-[(1,1-Dimethylethoxy)carbonyl]-L-phenylalanyl-L-phenylalanine13122-90-260 % similar N-(tert-Butyloxycarbonyl)-L-valine ester with N-hydroxysuccinimide3392-12-958 % similar

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

Same formula

N-[(Phenylmethoxy)carbonyl]-L-leucine 2,5-dioxo-1-pyrrolidinyl ester3397-35-1

Elsewhere

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