1-(tert-Butoxycarbonyl)-N-(((9H-fluoren-9-yl)methoxy)carbonyl)-D-tryptophan

C31H30N2O6CAS 163619-04-3526.59 g/mol

Open in Covalent MOL file
OONOOHNHOO
CarbamateCarboxylic acid

Properties

Molecular formula
C31H30N2O6
Molar mass
526.59 g/mol
Exact mass
526.2104 Da
logP
5.96Crippen estimate
Polar surface area
106.9 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
6
Stereocentres
Rin 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
163619-04-3
SMILES
CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C[C@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChIKey
ADOHASQZJSJZBT-AREMUKBSSA-N
InChI
InChI=1S/C31H30N2O6/c1-31(2,3)39-30(37)33-17-19(20-10-8-9-15-27(20)33)16-26(28(34)35)32-29(36)38-18-25-23-13-6-4-11-21(23)22-12-5-7-14-24(22)25/h4-15,17,25-26H,16,18H2,1-3H3,(H,32,36)(H,34,35)/t26-/m1/s1

Weigh it out

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

Names and synonyms

1 names
  • Fmoc-D-trp(boc)-oh

Work with 1-(tert-Butoxycarbonyl)-N-(((9H-fluoren-9-yl)methoxy)carbonyl)-D-tryptophan

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-trp(boc)-OH143824-78-6Enantiomer

Similar compounds

Boc-trp(boc)-oh144599-95-181 % similar (S)-2-(((9H-Fluoren-9-yl)methoxy)carbonylamino)-3-(1-methyl-1H-indol-3-yl)propanoic acid1334509-86-271 % similar Fmoc-metrp(boc)-oh197632-75-069 % similar Fmoc-his(boc)-oh81379-52-468 % similar Fmoc-P-carboxy-phe(otbu)-oh183070-44-263 % similar Fmoc-D-phe(4-NHBoc)-OH214750-77-363 % similar Fmoc-D-aspartic acid beta-tert-butyl ester112883-39-362 % similar (S)-3-(4-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)phenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid114346-31-561 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook