chempirical

Fmoc-lys(pal-glu-otbu)-oh

C46H69N3O8CAS 1491158-62-3792.07 g/mol

Open in Covalent MOL file
ONHONHOHONHOOOO
AmideCarbamateCarboxylic acidEster

Properties

Molecular formula
C46H69N3O8
Molar mass
792.07 g/mol
Exact mass
791.5085 Da
logP
9.35Crippen estimate
Polar surface area
160.1 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
28
Stereocentres
S, 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
1491158-62-3
SMILES
CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)OC(C)(C)C
InChIKey
LQQXBYSAGYOQJW-ZAQUEYBZSA-N
InChI
InChI=1S/C46H69N3O8/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-29-42(51)48-40(44(54)57-46(2,3)4)30-31-41(50)47-32-23-22-28-39(43(52)53)49-45(55)56-33-38-36-26-20-18-24-34(36)35-25-19-21-27-37(35)38/h18-21,24-27,38-40H,5-17,22-23,28-33H2,1-4H3,(H,47,50)(H,48,51)(H,49,55)(H,52,53)/t39-,40-/m0/s1

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Work with Fmoc-lys(pal-glu-otbu)-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

Fmoc-L-lys[oct-(otbu)-glu-(otbu)-aeea-aeea]-oh1662688-20-179 % similar (2R)-6-(((tert-Butoxy)carbonyl)amino)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)hexanoic acid92122-45-768 % similar N-Boc-N'-fmoc-L-lysine84624-27-167 % similar Fmoc-D-orn(boc)-oh118476-89-464 % similar Boc-orn(fmoc)-oh150828-96-963 % similar (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-6-(tert-butoxy)-6-oxohexanoic acid159751-47-061 % similar Fmoc-D-glu-otbu109745-15-560 % similar Boc-glu(ofm)-oh123417-18-560 % similar

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

Elsewhere

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