chempirical

5-(1,1-Dimethylethyl) 1-(2,3,4,5,6-pentafluorophenyl) N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutamate

C30H26F5NO6CAS 86061-04-3591.53 g/mol

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Aryl halideEster

Properties

Molecular formula
C30H26F5NO6
Molar mass
591.53 g/mol
Exact mass
591.1680 Da
Melting point
119–120 °C
logP
6.52Crippen estimate
Polar surface area
94.4 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
8
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
86061-04-3
SMILES
CC(C)(C)OC(=O)CC[C@H](N=C(O)OCC1c2ccccc2-c2ccccc21)C(=O)Oc1c(F)c(F)c(F)c(F)c1F
InChIKey
AIDYQYOPUBOMTR-FQEVSTJZSA-N
InChI
InChI=1S/C30H26F5NO6/c1-30(2,3)42-21(37)13-12-20(28(38)41-27-25(34)23(32)22(31)24(33)26(27)35)36-29(39)40-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-14H2,1-3H3,(H,36,39)/t20-/m0/s1

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Names and synonyms

4 names
  • L-Glutamic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 5-(1,1-dimethylethyl) 1-(2,3,4,5,6-pentafluorophenyl) ester
  • L-Glutamic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 5-(1,1-dimethylethyl) 1-(pentafluorophenyl) ester
  • N-(9-Fluorenylmethoxycarbonyl)-L-glutamic acid α-pentafluorophenyl γ-tert-butyl ester
  • Nα-Fmoc-L-glutamic acid γ-tert-butyl ester pentafluorophenyl ester

Work with 5-(1,1-Dimethylethyl) 1-(2,3,4,5,6-pentafluorophenyl) N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutamate

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-(9-Fluorenylmethoxycarbonyl)-L-glutamic acid γ-tert-butyl ester71989-18-972 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-methionine 2,3,4,5,6-pentafluorophenyl ester86060-94-870 % similar N2-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-(triphenylmethyl)-L-glutamine 2,3,4,5,6-pentafluorophenyl ester132388-65-968 % similar Fmoc-L-asp(otbu)-oh71989-14-561 % similar L-Cysteine, S-[(acetylamino)methyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, pentafluorophenyl ester86060-96-061 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]glycine 2,3,4,5,6-pentafluorophenyl ester86060-85-760 % similar 5-Methyl hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutamate145038-50-256 % similar N-α-Fluorenylmethoxycarbonyl-N-δ-tert-butoxycarbonyl-L-ornithine109425-55-055 % similar

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

Elsewhere

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