chempirical

Fmoc-asn(trt)-opfp

C44H31F5N2O5CAS 132388-64-8762.73 g/mol

Open in Covalent MOL file
NHOOOFFFFFNHOO
AmideAryl halideCarbamateEster

Properties

Molecular formula
C44H31F5N2O5
Molar mass
762.73 g/mol
Exact mass
762.2153 Da
logP
8.69Crippen estimate
Polar surface area
93.7 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
11
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
132388-64-8
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(=O)C[C@@H](C(=O)OC4=C(C(=C(C(=C4F)F)F)F)F)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57
InChIKey
YSONQVIVMGOLBG-UMSFTDKQSA-N
InChI
InChI=1S/C44H31F5N2O5/c45-36-37(46)39(48)41(40(49)38(36)47)56-42(53)34(50-43(54)55-25-33-31-22-12-10-20-29(31)30-21-11-13-23-32(30)33)24-35(52)51-44(26-14-4-1-5-15-26,27-16-6-2-7-17-27)28-18-8-3-9-19-28/h1-23,33-34H,24-25H2,(H,50,54)(H,51,52)/t34-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Fmoc-asn(trt)-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-cys(trt)-opfp115520-21-371 % similar Fmoc-D-ala-opfp125043-04-162 % similar Fmoc-homoser(trt)-oh111061-55-348 % similar (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid129460-09-948 % similar Fmoc-D-asn-OH108321-39-748 % similar N2-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-(triphenylmethyl)-L-glutamine 2,3,4,5,6-pentafluorophenyl ester132388-65-948 % similar 1-(9H-Fluoren-9-ylmethyl) 2-(pentafluorophenyl) (2S)-1,2-pyrrolidinedicarboxylate86060-90-447 % similar Z-Asn(trt)-oh132388-57-947 % similar

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

Elsewhere

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