chempirical

N2-[(1,1-Dimethylethoxy)carbonyl]-N6-[(phenylmethoxy)carbonyl]-L-lysine 2,5-dioxo-1-pyrrolidinyl ester

C23H31N3O8CAS 34404-36-9477.51 g/mol

Open in Covalent MOL file
OONHNHOOOONOO
AmideLactam

Properties

Molecular formula
C23H31N3O8
Molar mass
477.51 g/mol
Exact mass
477.2111 Da
Melting point
110–111 °C
logP
2.99Crippen estimate
Polar surface area
147.3 Ų
H-bond donors / acceptors
2 / 8
Rotatable bonds
10
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
34404-36-9
SMILES
CC(C)(C)OC(O)=N[C@@H](CCCCN=C(O)OCc1ccccc1)C(=O)ON1C(=O)CCC1=O
InChIKey
YWLICOCXPNQJPC-KRWDZBQOSA-N
InChI
InChI=1S/C23H31N3O8/c1-23(2,3)33-22(31)25-17(20(29)34-26-18(27)12-13-19(26)28)11-7-8-14-24-21(30)32-15-16-9-5-4-6-10-16/h4-6,9-10,17H,7-8,11-15H2,1-3H3,(H,24,30)(H,25,31)/t17-/m0/s1

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Names and synonyms

8 names
  • L-Lysine, N2-[(1,1-dimethylethoxy)carbonyl]-N6-[(phenylmethoxy)carbonyl]-, 2,5-dioxo-1-pyrrolidinyl ester
  • Carbamic acid, [5-[[(1,1-dimethylethoxy)carbonyl]amino]-6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]-, phenylmethyl ester, (S)-
  • Succinimide, N-[(N2,N6-dicarboxy-L-lysyl)oxy]-, N6-benzyl tert-butyl ester
  • Carbamic acid, [(5S)-5-[[(1,1-dimethylethoxy)carbonyl]amino]-6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]-, phenylmethyl ester
  • Nα-(tert-Butyloxycarbonyl)-Nε-(benzyloxycarbonyl)-L-lysine N-hydroxysuccinimide ester
  • α-(tert-Butyloxycarbonyl)-ε-(carbobenzoxy)-L-lysine ester with N-hydroxysuccinimide
  • tert-Butyloxycarbonyl-benzyloxycarbonyl-L-lysine N-hydroxysuccinimide ester
  • (2,5-Dioxopyrrolidin-1-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoate

Work with N2-[(1,1-Dimethylethoxy)carbonyl]-N6-[(phenylmethoxy)carbonyl]-L-lysine 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

N2-[(1,1-Dimethylethoxy)carbonyl]-N6-[(phenylmethoxy)carbonyl]-L-lysine2389-45-972 % similar N-[(1,1-Dimethylethoxy)carbonyl]-D-phenylalanine 2,5-dioxo-1-pyrrolidinyl ester3674-18-868 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-N5-[(phenylmethoxy)carbonyl]-D-ornithine16937-92-168 % similar Nα-tert-Butoxycarbonyl-Nε-benzyloxycarbonyl-L-lysine compound with dicyclohexylamine (1:1)16948-04-267 % similar N6-[(1,1-Dimethylethoxy)carbonyl]-N2-[(phenylmethoxy)carbonyl]-L-lysine2389-60-867 % similar D-Lysine, N2-[(1,1-dimethylethoxy)carbonyl]-N6-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)76477-42-467 % similar L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-O-(phenylmethyl)-, 2,5-dioxo-1-pyrrolidinyl ester34805-19-164 % similar 1-(Phenylmethyl) hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate30924-93-762 % similar

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

Elsewhere

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