Fmoc-L-tyr(tBu)-OH

C₂₈H₂₉NO₅CAS 71989-38-3459.54 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

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 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 7
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed11.1% of notifiers
H312 Harmful in contact with skin11.1% of notifiers
H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation55.6% of notifiers
H332 Harmful if inhaled11.1% of notifiers
H335 May cause respiratory irritation44.4% of notifiers

Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

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

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.

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

Similar compounds

Fmoc-D-tyr(4-et)-OH162502-65-075 % similar Fmoc-L-phenylalanine35661-40-675 % similar (βS)-4-(1,1-Dimethylethoxy)-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid219967-69-873 % similar (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-([1,1'-biphenyl]-4-yl)propanoic acid205526-38-172 % similar N-((9H-Fluoren-9-ylmethoxy)carbonyl)-4-fluoro-D-phenylalanine177966-64-271 % similar Fmoc-D-4-iodophenylalanine205526-29-071 % 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

Elsewhere

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