chempirical

N-(9-Fluorenylmethoxycarbonyl)-L-glutamic acid γ-tert-butyl ester

C24H27NO6CAS 71989-18-9425.48 g/mol

Open in Covalent MOL file
OONHOOOOH
Carboxylic acidEster

Properties

Molecular formula
C24H27NO6
Molar mass
425.48 g/mol
Exact mass
425.1838 Da
Melting point
83–90 °C
logP
4.30Crippen estimate
Polar surface area
105.4 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
7
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
71989-18-9
SMILES
CC(C)(C)OC(=O)CC[C@H](N=C(O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIKey
OTKXCALUHMPIGM-FQEVSTJZSA-N
InChI
InChI=1S/C24H27NO6/c1-24(2,3)31-21(26)13-12-20(22(27)28)25-23(29)30-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-14H2,1-3H3,(H,25,29)(H,27,28)/t20-/m0/s1

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Names and synonyms

6 names
  • L-Glutamic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 5-(1,1-dimethylethyl) ester
  • N-(9-Fluorenylmethoxycarbonyl)glutamic acid γ-tert-butyl ester
  • (2S)-5-tert-Butoxy-2-[[[(9H-fluoren-9-yl)methoxy]carbonyl]amino]-5-oxopentanoic acid
  • (2S)-5-(tert-Butoxy)-2-([[(9H-fluoren-9-yl)methoxy]carbonyl]amino)-5-oxopentanoic acid
  • (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
  • (2S)-5-tert-Butoxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-pentanoic acid

Work with N-(9-Fluorenylmethoxycarbonyl)-L-glutamic acid γ-tert-butyl 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

Fmoc-L-asp(otbu)-oh71989-14-584 % similar 5-Methyl hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutamate145038-50-277 % similar N-α-Fluorenylmethoxycarbonyl-N-δ-tert-butoxycarbonyl-L-ornithine109425-55-075 % similar N-[(1,1-Dimethylethoxy)carbonyl]-3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-D-alanine131570-56-474 % similar Fmoc-lys(boc)-oh71989-26-974 % similar N-(9-Fluorenylmethoxycarbonyl)-O-tert-butylserine71989-33-873 % similar 5-(1,1-Dimethylethyl) 1-(2,3,4,5,6-pentafluorophenyl) N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutamate86061-04-372 % similar 5-(Phenylmethyl) hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutamate123639-61-271 % similar

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

Same formula

Fmoc-D-glu-otbu109745-15-5 Boc-glu(ofm)-oh123417-18-5 N-Alpha-(9-Fluorenylmethyloxycarbonyl)-N-alpha-methyl-L-aspartic acid beta-t-butyl ester152548-66-8

Elsewhere

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