chempirical

Fmoc-L-tyr(tbu)-oh

C28H29NO5CAS 71989-38-3459.54 g/mol

Open in Covalent MOL file
ONHOOOOH
Carboxylic acidEther

Properties

Molecular formula
C28H29NO5
Molar mass
459.54 g/mol
Exact mass
459.2046 Da
Melting point
150–152 °C
logP
5.60Crippen estimate
Polar surface area
88.3 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
7
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
71989-38-3
SMILES
CC(C)(C)Oc1ccc(C[C@H](N=C(O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1
InChIKey
JAUKCFULLJFBFN-VWLOTQADSA-N
InChI
InChI=1S/C28H29NO5/c1-28(2,3)34-19-14-12-18(13-15-19)16-25(26(30)31)29-27(32)33-17-24-22-10-6-4-8-20(22)21-9-5-7-11-23(21)24/h4-15,24-25H,16-17H2,1-3H3,(H,29,32)(H,30,31)/t25-/m0/s1

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Names and synonyms

6 names
  • L-Tyrosine, O-(1,1-dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
  • O-(1,1-Dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-tyrosine
  • NSC 334301
  • (S)-3-(4-tert-Butoxyphenyl)-2-[[[(9H-fluoren-9-yl)methoxy]carbonyl]amino]propionic acid
  • (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
  • (2S)-3-[4-(tert-Butoxy)phenyl]-2-([[(9H-fluoren-9-yl)methoxy]carbonyl]amino)propanoic acid

Work with Fmoc-L-tyr(tbu)-oh

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

O-Ethyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-tyrosine162502-65-075 % similar Fmoc-L-phenylalanine35661-40-675 % similar (βS)-4-(1,1-Dimethylethoxy)-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid219967-69-873 % similar (αR)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino][1,1′-biphenyl]-4-propanoic acid205526-38-172 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-fluoro-D-phenylalanine177966-64-271 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-iodo-D-phenylalanine205526-29-071 % similar O-(1,1-Dimethylethyl)-N-[(phenylmethoxy)carbonyl]-L-tyrosine5545-54-071 % similar N-(9-Fluorenylmethoxycarbonyl)-O-tert-butylserine71989-33-871 % similar

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

Same formula

(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-(tert-butoxy)phenyl)propanoic acid118488-18-9

Elsewhere

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