chempirical

Fmoc-D-tryptophan

C26H22N2O4CAS 86123-11-7426.47 g/mol

Open in Covalent MOL file
OONHNHOHO
CarbamateCarboxylic acid

Properties

Molecular formula
C26H22N2O4
Molar mass
426.47 g/mol
Exact mass
426.1580 Da
logP
4.70Crippen estimate
Polar surface area
91.4 Ų
H-bond donors / acceptors
3 / 3
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
86123-11-7
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CC4=CNC5=CC=CC=C54)C(=O)O
InChIKey
MGHMWKZOLAAOTD-XMMPIXPASA-N
InChI
InChI=1S/C26H22N2O4/c29-25(30)24(13-16-14-27-23-12-6-5-7-17(16)23)28-26(31)32-15-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-12,14,22,24,27H,13,15H2,(H,28,31)(H,29,30)/t24-/m1/s1

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Names and synonyms

1 names
  • Fmoc-D-trp-OH

Work with Fmoc-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-tryptophan35737-15-6Enantiomer

Similar compounds

(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid737007-45-377 % similar N-Fmoc-7-methyl-L-tryptophan1808268-53-275 % similar Fmoc-L-2-chlorophe198560-41-768 % similar Fmoc-2-chloro-D-phenylalanine205526-22-368 % similar Fmoc-L-2-bromophenylalanine220497-47-268 % similar Fmoc-D-2-bromophenylalanine220497-79-068 % similar Fmoc-phe-oh286460-71-767 % similar Fmoc-D-phenylalanine86123-10-667 % similar

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

Same formula

(βS)-2-Cyano-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid270065-84-4 (βS)-3-Cyano-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid270065-87-7

Elsewhere

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