O-Benzyl-N-((tert-butoxy)carbonyl)-L-tyrosine

C₂₁H₂₅NO₅CAS 2130-96-3371.43 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₂₁H₂₅NO₅
Molar mass: 371.43 g/mol
Exact mass: 371.1733 Da
Melting point: 108–109 °C
logP: 3.99Crippen 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 swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

2130-96-3

SMILES

CC(C)(C)OC(O)=N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O

InChIKey

ZAVSPTOJKOFMTA-SFHVURJKSA-N

InChI

InChI=1S/C21H25NO5/c1-21(2,3)27-20(25)22-18(19(23)24)13-15-9-11-17(12-10-15)26-14-16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3,(H,22,25)(H,23,24)/t18-/m0/s1

Weigh it out

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

Names and synonyms

17 names · show all

N-[(1,1-Dimethylethoxy)carbonyl]-O-(phenylmethyl)-L-tyrosine
L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-O-(phenylmethyl)-
Alanine, 3-[p-(benzyloxy)phenyl]-N-carboxy-, N-tert-butyl ester, L-
Alanine, 3-[p-(benzyloxy)phenyl]-N-carboxy-, N-tert-butyl ester
L-Alanine, 3-[p-(benzyloxy)phenyl]-N-carboxy-, N-tert-butyl ester
N-(tert-Butyloxycarbonyl)-O-benzyl-L-tyrosine
O-Benzyl-N-tert-butoxycarbonyl-L-tyrosine
N-(tert-Butoxycarbonyl)-O-benzyl-L-tyrosine
(tert-Butoxycarbonyl)-O-benzyltyrosine
N-(tert-Butoxycarbonyl)-O4-benzyl-L-tyrosine
N-(tert-Butoxycarbonyl)-O-benzyltyrosine
NSC 164044
(2S)-3-[4-(Benzyloxy)phenyl]-2-[(tert-butoxycarbonyl)amino]propanoic acid
(S)-3-(4-Benzyloxyphenyl)-2-(tert-butoxycarbonylamino)propionic acid
(2S)-2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoic acid
(S)-3-(4-(Benzyloxy)phenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid
(2S)-3-(4-Benzyloxyphenyl)-2-(tert-butoxycarbonylamino)propanoic acid

Work with O-Benzyl-N-((tert-butoxy)carbonyl)-L-tyrosine

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.

Boc-D-tyr(bzl)-oh63769-58-4Enantiomer

Similar compounds

Boc-L-phenylalanine13734-34-481 % similar N-tert-Butoxycarbonyl-D-phenylalanine18942-49-981 % similar Boc-O-ethyl-L-tyrosine76757-91-075 % similar Boc-D-tyr(et)-OH76757-92-175 % similar O-[(2,6-Dichlorophenyl)methyl]-N-[(1,1-dimethylethoxy)carbonyl]-L-tyrosine40298-71-375 % similar N-[(1,1-Dimethylethoxy)carbonyl]-L-phenylalanyl-L-phenylalanine13122-90-274 % similar N-tert-Butoxycarbonyl-O-benzylserine23680-31-172 % similar 4-Benzoyl-N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanine104504-43-071 % similar

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

Same formula

Boc-tyr-obzl19391-35-6 O-(1,1-Dimethylethyl)-N-[(phenylmethoxy)carbonyl]-L-tyrosine5545-54-0

Elsewhere

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