(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-(tert-butoxy)phenyl)propanoic acid

C₂₈H₂₉NO₅CAS 118488-18-9459.54 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ether

Properties

Molecular formula: C₂₈H₂₉NO₅
Molar mass: 459.54 g/mol
Exact mass: 459.2046 Da
logP: 5.40Crippen estimate
Polar surface area: 84.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 7
Stereocentres: Rin SMILES atom order

Hazards

Warning

H317 May cause an allergic skin reaction50% of notifiers
H413 May cause long lasting harmful effects to aquatic life50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P501

Identifiers

CAS number

118488-18-9

SMILES

CC(C)(C)OC1=CC=C(C=C1)C[C@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChIKey

JAUKCFULLJFBFN-RUZDIDTESA-N

InChI

InChI=1S/C28H29NO5/c1-28(2,3)34-19-14-12-18(13-15-19)16-25(26(30)31)29-27(32)33-17-24-22-10-6-4-8-20(22)21-9-5-7-11-23(21)24/h4-15,24-25H,16-17H2,1-3H3,(H,29,32)(H,30,31)/t25-/m1/s1

Weigh it out

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

Names and synonyms

1 names

Fmoc-D-tyr(tbu)-oh

Work with (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-(tert-butoxy)phenyl)propanoic acid

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-L-tyr(tBu)-OH71989-38-3Enantiomer

Similar compounds

Fmoc-D-4-methoxyphe201335-88-877 % similar N-Alpha-(9-Fluorenylmethyloxycarbonyl)-O-methyl-L-tyrosine77128-72-477 % similar Fmoc-P-carboxy-phe(otbu)-oh183070-44-275 % similar Fmoc-D-phe(4-NHBoc)-OH214750-77-375 % similar Fmoc-phe-oh286460-71-774 % similar Fmoc-D-phenylalanine86123-10-674 % similar Fmoc-4-(2-(boc-amino)ethoxy)-L-phenylalanine1013883-02-774 % similar (S)-3-(4-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)phenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid114346-31-574 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook