chempirical

Fmoc-glu(oall)-oh

C23H23NO6CAS 133464-46-7409.44 g/mol

Open in Covalent MOL file
OOOHONHOO
AlkeneCarbamateCarboxylic acidEster

Properties

Molecular formula
C23H23NO6
Molar mass
409.44 g/mol
Exact mass
409.1525 Da
logP
3.49Crippen estimate
Polar surface area
101.9 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
9
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
133464-46-7
SMILES
C=CCOC(=O)CC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChIKey
LRBARFFNYOKIAX-FQEVSTJZSA-N
InChI
InChI=1S/C23H23NO6/c1-2-13-29-21(25)12-11-20(22(26)27)24-23(28)30-14-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h2-10,19-20H,1,11-14H2,(H,24,28)(H,26,27)/t20-/m0/s1

Weigh it out

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

Work with Fmoc-glu(oall)-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

Fmoc-asp(oall)-oh146982-24-382 % similar Fmoc-D-asp(oall)-oh177609-12-082 % similar Fmoc-orn(aloc)-oh147290-11-777 % similar Fmoc-lys(aloc)-oh146982-27-675 % similar N-Alpha-allyloxycarbonyl-N-epsilon-(9-fluorenylmethyloxycarbonyl)-L-lysine186350-56-175 % similar Fmoc-dap(aloc)-oh188970-92-573 % similar Fmoc-L-glutamic acid121343-82-671 % similar (R)-N-Fmoc-allylglycine170642-28-171 % similar

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

Same formula

1-(2-Propen-1-yl) hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutamate144120-54-7 Acetylcorynoline18797-80-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook