chempirical

Fmoc-D-tyr(4-et)-OH

C26H25NO5CAS 162502-65-0431.49 g/mol

Open in Covalent MOL file
ONHOOOOH
CarbamateCarboxylic acidEther

Properties

Molecular formula
C26H25NO5
Molar mass
431.49 g/mol
Exact mass
431.1733 Da
logP
4.82Crippen estimate
Polar surface area
88.3 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
8
Stereocentres
Rin SMILES atom order

Hazards

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

Identifiers

CAS number
162502-65-0
SMILES
CCOc1ccc(C[C@@H](N=C(O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1
InChIKey
XUKUVROJKPSLLU-XMMPIXPASA-N
InChI
InChI=1S/C26H25NO5/c1-2-31-18-13-11-17(12-14-18)15-24(25(28)29)27-26(30)32-16-23-21-9-5-3-7-19(21)20-8-4-6-10-22(20)23/h3-14,23-24H,2,15-16H2,1H3,(H,27,30)(H,28,29)/t24-/m1/s1

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Names and synonyms

3 names
  • O-Ethyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-tyrosine
  • D-Tyrosine, O-ethyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
  • (2R)-3-(4-Ethoxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

Work with Fmoc-D-tyr(4-et)-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

Similar compounds

Fmoc-L-phenylalanine35661-40-676 % similar Fmoc-L-tyr(tBu)-OH71989-38-375 % similar (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-([1,1'-biphenyl]-4-yl)propanoic acid205526-38-174 % similar N-((9H-Fluoren-9-ylmethoxy)carbonyl)-4-fluoro-D-phenylalanine177966-64-272 % similar Fmoc-D-4-iodophenylalanine205526-29-072 % similar Fmoc-4-cyano-D-phenylalanine205526-34-771 % similar 4-Benzoyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine117666-97-470 % similar Fmoc-3,4-dichloro-D-phenylalanine177966-58-467 % similar

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

Same formula

(2S,3R)-3-(Benzyloxy)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)butanoic acid117872-75-0

Elsewhere

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