chempirical

O-(1,1-Dimethylethyl)-N-[(phenylmethoxy)carbonyl]-L-tyrosine

C21H25NO5CAS 5545-54-0371.43 g/mol

Open in Covalent MOL file
ONHOOOOH
Carboxylic acidEther

Properties

Molecular formula
C21H25NO5
Molar mass
371.43 g/mol
Exact mass
371.1733 Da
Melting point
76–78 °C
logP
3.99Crippen estimate
Polar surface area
88.3 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
7
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
5545-54-0
SMILES
CC(C)(C)Oc1ccc(C[C@H](N=C(O)OCc2ccccc2)C(=O)O)cc1
InChIKey
YKVBQSGNGCKQSV-SFHVURJKSA-N
InChI
InChI=1S/C21H25NO5/c1-21(2,3)27-17-11-9-15(10-12-17)13-18(19(23)24)22-20(25)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

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Names and synonyms

7 names
  • L-Tyrosine, O-(1,1-dimethylethyl)-N-[(phenylmethoxy)carbonyl]-
  • Alanine, 3-(p-tert-butoxyphenyl)-N-carboxy-, N-benzyl ester, L-
  • Alanine, 3-(p-tert-butoxyphenyl)-N-carboxy-, N-benzyl ester
  • Nα-(Benzyloxycarbonyl)-O-tert-butyl-L-tyrosine
  • N-(Benzyloxycarbonyl)-O-tert-butyltyrosine
  • N-(Benzyloxycarbonyl)-O-tert-butyl-L-tyrosine
  • (S)-2-(((Benzyloxy)carbonyl)amino)-3-(4-(tert-butoxy)phenyl)propanoic acid

Work with O-(1,1-Dimethylethyl)-N-[(phenylmethoxy)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

Similar compounds

L-Tyrosine, O-(1,1-dimethylethyl)-N-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)16879-90-686 % similar Benzyloxycarbonyl-L-phenylalanine1161-13-375 % similar N-(Benzyloxycarbonyl)-D-phenylalanine2448-45-575 % similar N-(Benzyloxycarbonyl)-dl-phenylalanine3588-57-675 % similar Fmoc-L-tyr(tbu)-oh71989-38-371 % similar Carbobenzoxy-L-tyrosine1164-16-571 % similar O-(1,1-Dimethylethyl)-N-[(phenylmethoxy)carbonyl]-L-serine1676-75-169 % similar N-tert-Butoxycarbonyl-D-phenylalanine18942-49-967 % similar

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

Same formula

N-[(1,1-Dimethylethoxy)carbonyl]-O-(phenylmethyl)-L-tyrosine2130-96-3

Elsewhere

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