chempirical

Fmoc-L-glutamic acid 5-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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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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Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • N-(9-Fluorenylmethoxycarbonyl)-L-glutamic acid γ-tert-butyl ester
  • 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 Fmoc-L-glutamic acid 5-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Fmoc-L-Glu(OtBu)-OH monohydrate204251-24-1Hydrate

Similar compounds

Fmoc-L-asp(OtBu)-OH71989-14-584 % similar 5-Methyl hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutamate145038-50-277 % similar (2S)-5-(((tert-Butoxy)carbonyl)amino)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)pentanoic acid109425-55-075 % 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 Fmoc-beta-Glu(OtBu)-OH209252-17-5 Fmoc-L-glutamic acid 1-tert-butyl ester84793-07-7

Elsewhere

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