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.

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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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Tanimoto similarity of circular fingerprints over the whole catalogue.

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