chempirical

Fmoc-trp-opfp

C32H21F5N2O4CAS 86069-87-6592.52 g/mol

Open in Covalent MOL file
OONHNHOOFFFFF
Aryl halideCarbamateEster

Properties

Molecular formula
C32H21F5N2O4
Molar mass
592.52 g/mol
Exact mass
592.1421 Da
logP
6.92Crippen estimate
Polar surface area
80.4 Ų
H-bond donors / acceptors
2 / 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
86069-87-6
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)OC6=C(C(=C(C(=C6F)F)F)F)F
InChIKey
KLPGTAYCHANVFY-DEOSSOPVSA-N
InChI
InChI=1S/C32H21F5N2O4/c33-25-26(34)28(36)30(29(37)27(25)35)43-31(40)24(13-16-14-38-23-12-6-5-7-17(16)23)39-32(41)42-15-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-12,14,22,24,38H,13,15H2,(H,39,41)/t24-/m0/s1

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Work with Fmoc-trp-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

Fmoc-phe-opfp86060-92-671 % similar Fmoc-D-tryptophan86123-11-767 % similar Fmoc-asn-opfp86060-99-366 % similar Fmoc-leu-opfp86060-88-065 % similar Fmoc-D-ala-opfp125043-04-161 % similar Fmoc-ala-opfp86060-86-861 % similar Fmoc-cys(trt)-opfp115520-21-360 % similar Fmoc-asn(trt)-opfp132388-64-859 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook