chempirical

Fmoc-phe-opfp

C30H20F5NO4CAS 86060-92-6553.49 g/mol

Open in Covalent MOL file
OOFFFFFNHOO
Aryl halideCarbamateEster

Properties

Molecular formula
C30H20F5NO4
Molar mass
553.49 g/mol
Exact mass
553.1312 Da
logP
6.44Crippen estimate
Polar surface area
64.6 Ų
H-bond donors / acceptors
1 / 4
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
86060-92-6
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)OC2=C(C(=C(C(=C2F)F)F)F)F)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChIKey
WKHPSOMXNCTXPK-QFIPXVFZSA-N
InChI
InChI=1S/C30H20F5NO4/c31-23-24(32)26(34)28(27(35)25(23)33)40-29(37)22(14-16-8-2-1-3-9-16)36-30(38)39-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21-22H,14-15H2,(H,36,38)/t22-/m0/s1

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Work with Fmoc-phe-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

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

Elsewhere

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