chempirical

L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-O-(phenylmethyl)-, 2,5-dioxo-1-pyrrolidinyl ester

C25H28N2O7CAS 34805-19-1468.51 g/mol

Open in Covalent MOL file
OOHNOOONOO
AmideEtherLactam

Properties

Molecular formula
C25H28N2O7
Molar mass
468.51 g/mol
Exact mass
468.1897 Da
logP
3.51Crippen estimate
Polar surface area
114.7 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
8
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
34805-19-1
SMILES
CC(C)(C)OC(O)=N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)ON1C(=O)CCC1=O
InChIKey
GKLFTQJJYUFASW-FQEVSTJZSA-N
InChI
InChI=1S/C25H28N2O7/c1-25(2,3)33-24(31)26-20(23(30)34-27-21(28)13-14-22(27)29)15-17-9-11-19(12-10-17)32-16-18-7-5-4-6-8-18/h4-12,20H,13-16H2,1-3H3,(H,26,31)/t20-/m0/s1

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Names and synonyms

6 names
  • Succinimide, N-[[3-[p-(benzyloxy)phenyl]-N-carboxy-L-alanyl]oxy]-, tert-butyl ester
  • Carbamic acid, [2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-2-oxo-1-[[4-(phenylmethoxy)phenyl]methyl]ethyl]-, 1,1-dimethylethyl ester, (S)-
  • Carbamic acid, [(1S)-2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-2-oxo-1-[[4-(phenylmethoxy)phenyl]methyl]ethyl]-, 1,1-dimethylethyl ester
  • Alanine, 3-[p-(benzyloxy)phenyl]-N-carboxy-, N-tert-butyl ester, succinimido deriv.
  • NSC 334285
  • (2,5-Dioxopyrrolidin-1-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoate

Work with L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-O-(phenylmethyl)-, 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

N-[(1,1-Dimethylethoxy)carbonyl]-D-phenylalanine 2,5-dioxo-1-pyrrolidinyl ester3674-18-884 % similar N-[(1,1-Dimethylethoxy)carbonyl]-O-(phenylmethyl)-L-tyrosine2130-96-370 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-N6-[(phenylmethoxy)carbonyl]-L-lysine 2,5-dioxo-1-pyrrolidinyl ester34404-36-964 % similar N-tert-Butoxycarbonyl-D-phenylalanine18942-49-956 % similar N-[(1,1-Dimethylethoxy)carbonyl]-L-leucine 2,5-dioxo-1-pyrrolidinyl ester3392-09-456 % similar N-[(Phenylmethoxy)carbonyl]-L-leucine 2,5-dioxo-1-pyrrolidinyl ester3397-35-155 % similar N-(tert-Butoxycarbonyl)-L-phenylalanine P-nitrophenyl ester7535-56-055 % similar O-[(2,6-Dichlorophenyl)methyl]-N-[(1,1-dimethylethoxy)carbonyl]-L-tyrosine40298-71-354 % similar

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

Elsewhere

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