chempirical

Fmoc-cys(trt)-opfp

C43H30F5NO4SCAS 115520-21-3751.77 g/mol

Open in Covalent MOL file
SOOFFFFFNHOO
Aryl halideCarbamateEsterSulfide

Properties

Molecular formula
C43H30F5NO4S
Molar mass
751.77 g/mol
Exact mass
751.1816 Da
logP
9.92Crippen estimate
Polar surface area
64.6 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
11
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
115520-21-3
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)OC4=C(C(=C(C(=C4F)F)F)F)F)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57
InChIKey
FDAUCYDVXIPBDR-UMSFTDKQSA-N
InChI
InChI=1S/C43H30F5NO4S/c44-35-36(45)38(47)40(39(48)37(35)46)53-41(50)34(49-42(51)52-24-33-31-22-12-10-20-29(31)30-21-11-13-23-32(30)33)25-54-43(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,49,51)/t34-/m0/s1

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

Work with Fmoc-cys(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-asn(trt)-opfp132388-64-871 % similar Fmoc-D-ala-opfp125043-04-163 % similar Fmoc-D-cys(tbu)-oh131766-22-850 % similar Fmoc-homoser(trt)-oh111061-55-349 % 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-pyrrolidinedicarboxylate86060-90-448 % similar Nalpha-fmoc-L-serine tert-butyl ester110797-35-846 % similar Fmoc-D-asn-OH108321-39-746 % similar

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

Elsewhere

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