Fmoc-asn-opfp

C25H17F5N2O5CAS 86060-99-3520.41 g/mol

Open in Covalent MOL file
OONHONH2OOFFFFF
AmideAryl halideCarbamateEster

Properties

Molecular formula
C25H17F5N2O5
Molar mass
520.41 g/mol
Exact mass
520.1058 Da
logP
4.07Crippen estimate
Polar surface area
107.7 Ų
H-bond donors / acceptors
2 / 5
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
86060-99-3
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC(=O)N)C(=O)OC4=C(C(=C(C(=C4F)F)F)F)F
InChIKey
FESVUEALWMQZEP-INIZCTEOSA-N
InChI
InChI=1S/C25H17F5N2O5/c26-18-19(27)21(29)23(22(30)20(18)28)37-24(34)16(9-17(31)33)32-25(35)36-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2,(H2,31,33)(H,32,35)/t16-/m0/s1

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Tanimoto similarity of circular fingerprints over the whole catalogue.

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