Fmoc-dap(aloc)-oh

C22H22N2O6CAS 188970-92-5410.43 g/mol

Open in Covalent MOL file
OOHNOHONHOO
AlkeneCarbamateCarboxylic acid

Properties

Molecular formula
C22H22N2O6
Molar mass
410.43 g/mol
Exact mass
410.1478 Da
logP
2.89Crippen estimate
Polar surface area
114.0 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
8
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
188970-92-5
SMILES
C=CCOC(=O)NC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChIKey
MPVGCCAXXFLGIU-IBGZPJMESA-N
InChI
InChI=1S/C22H22N2O6/c1-2-11-29-21(27)23-12-19(20(25)26)24-22(28)30-13-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h2-10,18-19H,1,11-13H2,(H,23,27)(H,24,28)(H,25,26)/t19-/m0/s1

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Names and synonyms

1 names
  • Fmoc-dap(alloc)-OH

Work with Fmoc-dap(aloc)-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-dap(fmoc)-oh201473-90-782 % similar Fmoc-orn(aloc)-oh147290-11-779 % similar Fmoc-lys(aloc)-oh146982-27-678 % similar N-Alpha-allyloxycarbonyl-N-epsilon-(9-fluorenylmethyloxycarbonyl)-L-lysine186350-56-178 % similar Fmoc-asp(oall)-oh146982-24-375 % similar Fmoc-D-asp(oall)-oh177609-12-075 % similar (R)-N-Fmoc-allylglycine170642-28-174 % similar Fmoc-glu(oall)-oh133464-46-773 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook