chempirical

N-(9-Fluorenylmethoxycarbonyl)-O-tert-butylthreonine

C23H27NO5CAS 71989-35-0397.47 g/mol

Open in Covalent MOL file
ONHOOOOH
Carboxylic acidEther

Properties

Molecular formula
C23H27NO5
Molar mass
397.47 g/mol
Exact mass
397.1889 Da
Melting point
131–132 °C
logP
4.39Crippen estimate
Polar surface area
88.3 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6
Stereocentres
R, Sin SMILES atom order

Identifiers

CAS number
71989-35-0
SMILES
C[C@@H](OC(C)(C)C)[C@H](N=C(O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIKey
LZOLWEQBVPVDPR-VLIAUNLRSA-N
InChI
InChI=1S/C23H27NO5/c1-14(29-23(2,3)4)20(21(25)26)24-22(27)28-13-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,14,19-20H,13H2,1-4H3,(H,24,27)(H,25,26)/t14-,20+/m1/s1

Weigh it out

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

Names and synonyms

5 names
  • L-Threonine, O-(1,1-dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
  • O-(1,1-Dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-threonine
  • (2S,3R)-2-(((9-Fluorenylmethoxy)carbonyl)amino)-3-(tert-butoxy)butanoic acid
  • (2S,3R)-3-tert-Butoxy-2-[[[[9H-fluoren-9-yl]methoxy]carbonyl]amino)butanoic acid
  • Fmoc-L-thr(tBu)-OH

Work with N-(9-Fluorenylmethoxycarbonyl)-O-tert-butylthreonine

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-valine68858-20-872 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-alloisoleucine251316-98-067 % similar N-Fmoc-L-isoleucine71989-23-667 % similar N-(9-Fluorenylmethoxycarbonyl)-O-tert-butylserine71989-33-867 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-alanine35661-39-365 % similar N-(9-Fluorenylmethoxycarbonyl)-D-alanine79990-15-165 % similar (αS)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2,3-dihydro-1H-indene-2-acetic acid205526-39-263 % similar Fmoc-L-asp(otbu)-oh71989-14-562 % similar

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

Same formula

Nalpha-((9H-Fluoren-9-ylmethoxy)carbonyl)-L-threonine tert-Butyl Ester120791-76-6 Fmoc-O-tert-butyl-D-threonine138797-71-4 (3R)-4-(1,1-Dimethylethoxy)-3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]butanoic acid203854-51-7 O-(1,1-Dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-2-methyl-L-serine914399-98-7

Elsewhere

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