chempirical

N-[(Phenylmethoxy)carbonyl]-L-tyrosine methyl ester

C18H19NO5CAS 13512-31-7329.35 g/mol

Open in Covalent MOL file
OOOHNHOO
EsterPhenol

Properties

Molecular formula
C18H19NO5
Molar mass
329.35 g/mol
Exact mass
329.1263 Da
Melting point
92–93 °C
logP
2.61Crippen estimate
Polar surface area
88.3 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
13512-31-7
SMILES
COC(=O)[C@H](Cc1ccc(O)cc1)N=C(O)OCc1ccccc1
InChIKey
SLLMDHBKALJDBW-INIZCTEOSA-N
InChI
InChI=1S/C18H19NO5/c1-23-17(21)16(11-13-7-9-15(20)10-8-13)19-18(22)24-12-14-5-3-2-4-6-14/h2-10,16,20H,11-12H2,1H3,(H,19,22)/t16-/m0/s1

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Names and synonyms

6 names
  • L-Tyrosine, N-[(phenylmethoxy)carbonyl]-, methyl ester
  • Tyrosine, N-carboxy-, N-benzyl methyl ester, L-
  • N-(Benzyloxycarbonyl)-L-tyrosine methyl ester
  • N-Carbobenzoxy-L-tyrosine methyl ester
  • N-(Benzyloxycarbonyl)tyrosine methyl ester
  • N-Cbz-L-tyrosine methyl ester

Work with N-[(Phenylmethoxy)carbonyl]-L-tyrosine methyl ester

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

Carbobenzoxy-L-tyrosine1164-16-574 % similar N-[(Phenylmethoxy)carbonyl]-L-serine methyl ester1676-81-971 % similar Benzyloxycarbonyl-L-phenylalanine1161-13-364 % similar N-(Benzyloxycarbonyl)-D-phenylalanine2448-45-564 % similar N-(Benzyloxycarbonyl)-dl-phenylalanine3588-57-664 % similar N-[(Phenylmethoxy)carbonyl]-L-tyrosine 4-nitrophenyl ester3556-56-763 % similar L-Tyrosine N-carboxyanhydride3415-08-560 % similar O-(1,1-Dimethylethyl)-N-[(phenylmethoxy)carbonyl]-L-tyrosine5545-54-057 % similar

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

Same formula

N-[(Phenylmethoxy)carbonyl]-O-(phenylmethyl)-L-serine20806-43-3

Elsewhere

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