chempirical

Fmoc-D-tyr(bzl)-oh

C31H27NO5CAS 138775-48-1493.56 g/mol

Open in Covalent MOL file
OOOHNHOO
CarbamateCarboxylic acidEther

Properties

Molecular formula
C31H27NO5
Molar mass
493.56 g/mol
Exact mass
493.1889 Da
logP
5.80Crippen estimate
Polar surface area
84.9 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
9
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
138775-48-1
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)C[C@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChIKey
REHSJSKPWIOKIJ-GDLZYMKVSA-N
InChI
InChI=1S/C31H27NO5/c33-30(34)29(18-21-14-16-23(17-15-21)36-19-22-8-2-1-3-9-22)32-31(35)37-20-28-26-12-6-4-10-24(26)25-11-5-7-13-27(25)28/h1-17,28-29H,18-20H2,(H,32,35)(H,33,34)/t29-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Fmoc-D-tyr(bzl)-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

Z-Tyr(bzl)-oh16677-29-577 % similar Fmoc-L-4,4'-biphenylalanine199110-64-076 % similar Fmoc-D-4-methoxyphe201335-88-875 % similar Fmoc-D-tyr-oh112883-29-175 % similar Fmoc-bpa-oh117666-96-372 % similar Fmoc-D-4-chlorophe142994-19-272 % similar Fmoc-L-4-fluorophe169243-86-172 % similar (S)-N-Fmoc-4-chlorophenylalanine175453-08-472 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook