chempirical

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-O-[hydroxy(phenylmethoxy)phosphinyl]-L-tyrosine

C31H28NO8PCAS 191348-16-0573.54 g/mol

Open in Covalent MOL file
OOHOPOHOONHOO
Carboxylic acidPhosphate

Properties

Molecular formula
C31H28NO8P
Molar mass
573.54 g/mol
Exact mass
573.1553 Da
logP
6.12Crippen estimate
Polar surface area
134.9 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
11
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
191348-16-0
SMILES
O=C(O)[C@H](Cc1ccc(OP(=O)(O)OCc2ccccc2)cc1)N=C(O)OCC1c2ccccc2-c2ccccc21
InChIKey
WNFKGEXQEWKECX-LJAQVGFWSA-N
InChI
InChI=1S/C31H28NO8P/c33-30(34)29(18-21-14-16-23(17-15-21)40-41(36,37)39-19-22-8-2-1-3-9-22)32-31(35)38-20-28-26-12-6-4-10-24(26)25-11-5-7-13-27(25)28/h1-17,28-29H,18-20H2,(H,32,35)(H,33,34)(H,36,37)/t29-/m0/s1

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Names and synonyms

4 names
  • L-Tyrosine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-O-[hydroxy(phenylmethoxy)phosphinyl]-
  • L-Tyrosine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, phenylmethyl hydrogen phosphate (ester)
  • Fmoc-L-O-benzylphosphotyrosine
  • (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-[4-[hydroxy(phenylmethoxy)phosphoryl]oxyphenyl]propanoic acid

Work with N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-O-[hydroxy(phenylmethoxy)phosphinyl]-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

Fmoc-L-phenylalanine35661-40-670 % similar (αR)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino][1,1′-biphenyl]-4-propanoic acid205526-38-166 % similar O-Ethyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-tyrosine162502-65-064 % similar 4-Benzoyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine117666-97-463 % similar Fmoc-L-tyr(tbu)-oh71989-38-363 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-fluoro-D-phenylalanine177966-64-263 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-iodo-D-phenylalanine205526-29-063 % similar 4-Cyano-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine205526-34-762 % similar

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

Elsewhere

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