chempirical

O-Ethyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-tyrosine

C26H25NO5CAS 162502-65-0431.49 g/mol

Open in Covalent MOL file
ONHOOOOH
Carboxylic 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

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

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

Work with O-Ethyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-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

Fmoc-L-phenylalanine35661-40-676 % similar Fmoc-L-tyr(tbu)-oh71989-38-375 % similar (αR)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino][1,1′-biphenyl]-4-propanoic acid205526-38-174 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-fluoro-D-phenylalanine177966-64-272 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-iodo-D-phenylalanine205526-29-072 % similar 4-Cyano-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine205526-34-771 % similar 4-Benzoyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine117666-97-470 % similar 3,4-Dichloro-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-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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