Fmoc-ala-opfp

C₂₄H₁₆F₅NO₄CAS 86060-86-8477.39 g/mol

Open in Covalent MOL file

Aryl halide Carbamate Ester

Properties

Molecular formula: C₂₄H₁₆F₅NO₄
Molar mass: 477.39 g/mol
Exact mass: 477.0999 Da
logP: 5.21Crippen estimate
Polar surface area: 64.6 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 5
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

86060-86-8

SMILES

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

CJXZXBGKOSXBFR-NSHDSACASA-N

InChI

InChI=1S/C24H16F5NO4/c1-11(23(31)34-22-20(28)18(26)17(25)19(27)21(22)29)30-24(32)33-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16H,10H2,1H3,(H,30,32)/t11-/m0/s1

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Work with Fmoc-ala-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Fmoc-D-ala-opfp125043-04-1Enantiomer

Similar compounds

Fmoc-val-opfp86060-87-977 % similar Fmoc-leu-opfp86060-88-075 % similar Fmoc-phe-opfp86060-92-670 % similar Fmoc-asn-opfp86060-99-370 % similar Fmoc-asp(otbu)-opfp86061-01-065 % similar Fmoc-cys(trt)-opfp115520-21-363 % similar Fmoc-asn(trt)-opfp132388-64-862 % similar Fmoc-trp-opfp86069-87-661 % similar

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

Same formula

Fmoc-D-pentafluorophenylalanine198545-85-6 Fmoc-pentafluoro-L-phenylalanine205526-32-5

Elsewhere

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