N-Benzoyl-L-tyrosine ethyl ester

C18H19NO4CAS 3483-82-7313.35 g/mol

Open in Covalent MOL file
OOOHNHO
EsterPhenol

Properties

Molecular formula
C18H19NO4
Molar mass
313.35 g/mol
Exact mass
313.1314 Da
Melting point
122–123 °C
logP
2.87Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
3483-82-7
SMILES
CCOC(=O)[C@H](Cc1ccc(O)cc1)N=C(O)c1ccccc1
InChIKey
SRLROPAFMUDDRC-INIZCTEOSA-N
InChI
InChI=1S/C18H19NO4/c1-2-23-18(22)16(12-13-8-10-15(20)11-9-13)19-17(21)14-6-4-3-5-7-14/h3-11,16,20H,2,12H2,1H3,(H,19,21)/t16-/m0/s1

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Names and synonyms

7 names
  • L-Tyrosine, N-benzoyl-, ethyl ester
  • Tyrosine, N-benzoyl-, ethyl ester, L-
  • Ethyl N-benzoyl-L-tyrosinate
  • Ethyl benzoyltyrosinate
  • Benzoyltyrosine ethyl ester
  • N-Benzoyltyrosine ethyl ester
  • NSC 75895

Work with N-Benzoyl-L-tyrosine ethyl 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

N-Acetyl-L-tyrosine ethyl ester840-97-171 % similar N-[(Phenylmethoxy)carbonyl]-L-tyrosine methyl ester13512-31-756 % similar L-Tyrosine ethyl ester949-67-756 % similar N-Alpha-Benzoyl-L-arginine ethyl ester hydrochloride2645-08-155 % similar Benzoyl-L-phenylalanine2566-22-554 % similar N-Benzoyl-DL-phenylalanine2901-76-054 % similar L-Tyrosine N-carboxyanhydride3415-08-554 % similar D-Tyrosine ethyl ester hydrochloride23234-43-753 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Kresoxim-methyl143390-89-0 (+)-Norisoboldine23599-69-1 Cbz-N-methyl-L-phenylalanine2899-07-2 2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoic acid5809-23-4 (+)-Laurolitsine5890-18-6 Feruloyltyramine66648-43-9

Elsewhere

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