chempirical

Fmoc-asp(otbu)-opfp

C29H24F5NO6CAS 86061-01-0577.50 g/mol

Open in Covalent MOL file
OOOOFFFFFNHOO
Aryl halideCarbamateEster

Properties

Molecular formula
C29H24F5NO6
Molar mass
577.50 g/mol
Exact mass
577.1524 Da
logP
5.93Crippen estimate
Polar surface area
90.9 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
7
Stereocentres
Sin 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
86061-01-0
SMILES
CC(C)(C)OC(=O)C[C@@H](C(=O)OC1=C(C(=C(C(=C1F)F)F)F)F)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChIKey
DWYWJUBBXKYAMY-IBGZPJMESA-N
InChI
InChI=1S/C29H24F5NO6/c1-29(2,3)41-20(36)12-19(27(37)40-26-24(33)22(31)21(30)23(32)25(26)34)35-28(38)39-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,35,38)/t19-/m0/s1

Weigh it out

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Work with Fmoc-asp(otbu)-opfp

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-lys(boc)-opfp86060-98-276 % similar Fmoc-asn-opfp86060-99-372 % similar Fmoc-leu-opfp86060-88-068 % similar Fmoc-D-aspartic acid beta-tert-butyl ester112883-39-368 % similar Fmoc-asn(trt)-opfp132388-64-867 % similar Fmoc-phe-opfp86060-92-667 % similar Fmoc-D-ala-opfp125043-04-165 % similar Fmoc-ala-opfp86060-86-865 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook