Fmoc-L-lys[oct-(otbu)-glu-(otbu)-aeea-aeea]-oh

C₆₄H₁₀₁N₅O₁₆CAS 1662688-20-11196.53 g/mol

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Amide Carbamate Carboxylic acid Ester Ether

Properties

Molecular formula: C₆₄H₁₀₁N₅O₁₆
Molar mass: 1196.53 g/mol
Exact mass: 1195.7243 Da
logP: 8.75Crippen estimate
Polar surface area: 281.5 Å²
H-bond donors / acceptors: 6 / 15
Rotatable bonds: 47
Stereocentres: S, Sin SMILES atom order

Hazards

H413 May cause long lasting harmful effects to aquatic life100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P501

Identifiers

CAS number

1662688-20-1

SMILES

CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)OC(C)(C)C

InChIKey

COTQASXXEXJBOM-PJYGOTMFSA-N

InChI

InChI=1S/C64H101N5O16/c1-63(2,3)84-59(74)33-20-18-16-14-12-10-8-7-9-11-13-15-17-19-32-56(71)68-54(61(77)85-64(4,5)6)34-35-55(70)66-37-39-79-41-44-82-47-58(73)67-38-40-80-42-43-81-46-57(72)65-36-26-25-31-53(60(75)76)69-62(78)83-45-52-50-29-23-21-27-48(50)49-28-22-24-30-51(49)52/h21-24,27-30,52-54H,7-20,25-26,31-47H2,1-6H3,(H,65,72)(H,66,70)(H,67,73)(H,68,71)(H,69,78)(H,75,76)/t53-,54-/m0/s1

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Names and synonyms

1 names

(23S,50S)-50-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-23-(tert-butoxycarbonyl)-2,2-dimethyl-4,21,26,35,44-pentaoxo-3,30,33,39,42-pentaoxa-22,27,36,45-tetraazahenpentacontan-51-oic acid

Work with Fmoc-L-lys[oct-(otbu)-glu-(otbu)-aeea-aeea]-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-lys(pal-glu-otbu)-oh1491158-62-379 % similar (S)-22-(tert-Butoxycarbonyl)-10,19,24-trioxo-3,6,12,15-tetraoxa-9,18,23-triazahentetracontane-1,41-dioic acid1118767-16-062 % similar (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-6-(tert-butoxy)-6-oxohexanoic acid159751-47-061 % similar (2R)-6-(((tert-Butoxy)carbonyl)amino)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)hexanoic acid92122-45-760 % similar N-Boc-N'-fmoc-L-lysine84624-27-159 % similar Fmoc-L-Glu(OtBu)-OH monohydrate204251-24-158 % similar Fmoc-D-orn(boc)-oh118476-89-457 % similar Boc-orn(fmoc)-oh150828-96-956 % similar

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

Elsewhere

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