O-Benzyl-N-(((9H-fluoren-9-yl)methoxy)carbonyl)-L-tyrosine

C₃₁H₂₇NO₅CAS 71989-40-7493.56 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ether

Properties

Molecular formula: C₃₁H₂₇NO₅
Molar mass: 493.56 g/mol
Exact mass: 493.1889 Da
logP: 5.80Crippen estimate
Polar surface area: 84.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 9
Stereocentres: Sin 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

71989-40-7

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-LJAQVGFWSA-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-/m0/s1

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Names and synonyms

1 names

Fmoc-O-benzyl-L-tyrosine

Work with O-Benzyl-N-(((9H-fluoren-9-yl)methoxy)carbonyl)-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Fmoc-D-tyr(bzl)-oh138775-48-1Enantiomer

Similar compounds

Fmoc-phe-oh286460-71-782 % similar Fmoc-D-phenylalanine86123-10-682 % similar Z-Tyr(bzl)-oh16677-29-577 % similar Fmoc-L-4,4'-biphenylalanine199110-64-076 % similar Fmoc-D-4-methoxyphe201335-88-875 % similar N-Alpha-(9-Fluorenylmethyloxycarbonyl)-O-methyl-L-tyrosine77128-72-475 % similar Fmoc-D-tyr-oh112883-29-175 % similar Fmoc-bpa-oh117666-96-372 % similar

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

Elsewhere

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