chempirical

Fmoc-his(boc)-oh

C26H27N3O6CAS 81379-52-4477.52 g/mol

Open in Covalent MOL file
OONNOOHNHOO
CarbamateCarboxylic acid

Properties

Molecular formula
C26H27N3O6
Molar mass
477.52 g/mol
Exact mass
477.1900 Da
logP
4.20Crippen estimate
Polar surface area
119.8 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
6
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
81379-52-4
SMILES
CC(C)(C)OC(=O)N1C=C(N=C1)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChIKey
ZRHPMMZWDWMKPD-QFIPXVFZSA-N
InChI
InChI=1S/C26H27N3O6/c1-26(2,3)35-25(33)29-13-16(27-15-29)12-22(23(30)31)28-24(32)34-14-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,13,15,21-22H,12,14H2,1-3H3,(H,28,32)(H,30,31)/t22-/m0/s1

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Work with Fmoc-his(boc)-oh

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

Boc-his(boc)-OH20866-46-077 % similar Boc-his(Z)-oh50305-43-672 % similar N-Fmoc-N'-trityl-D-histidine135610-90-168 % similar 1-(tert-Butoxycarbonyl)-N-(((9H-fluoren-9-yl)methoxy)carbonyl)-D-tryptophan163619-04-368 % similar Fmoc-D-aspartic acid beta-tert-butyl ester112883-39-365 % similar N-Fmoc-N'-boc-L-2,3-diaminopropionic acid162558-25-064 % similar Fmoc-D-dap(boc)-oh198544-42-264 % similar (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-6-(tert-butoxy)-6-oxohexanoic acid159751-47-063 % similar

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

Elsewhere

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