chempirical

Fmoc-asn-opfp

C25H17F5N2O5CAS 86060-99-3520.41 g/mol

Open in Covalent MOL file
OONHOH2NOOFFFFF
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. Search the SDS library

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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Work with Fmoc-asn-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

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

Elsewhere

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