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.

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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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Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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