Fmoc-lys(aloc)-oh

C₂₅H₂₈N₂O₆CAS 146982-27-6452.51 g/mol

Open in Covalent MOL file

Alkene Carbamate Carboxylic acid

Properties

Molecular formula: C₂₅H₂₈N₂O₆
Molar mass: 452.51 g/mol
Exact mass: 452.1947 Da
logP: 4.06Crippen estimate
Polar surface area: 114.0 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 11
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

146982-27-6

SMILES

C=CCOC(=O)NCCCC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

InChIKey

OJBNDXHENJDCBA-QFIPXVFZSA-N

InChI

InChI=1S/C25H28N2O6/c1-2-15-32-24(30)26-14-8-7-13-22(23(28)29)27-25(31)33-16-21-19-11-5-3-9-17(19)18-10-4-6-12-20(18)21/h2-6,9-12,21-22H,1,7-8,13-16H2,(H,26,30)(H,27,31)(H,28,29)/t22-/m0/s1

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Names and synonyms

1 names

(2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-6-(((prop-2-en-1-yloxy)carbonyl)amino)hexanoic acid

Work with Fmoc-lys(aloc)-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

N2-((9H-Fluoren-9-ylmethoxy)carbonyl)-N6-((2-propen-1-yloxy)carbonyl)-D-lysine214750-75-1Enantiomer

Similar compounds

Fmoc-orn(aloc)-oh147290-11-795 % similar Fmoc-lys(fmoc)-oh78081-87-584 % similar Fmoc-dap(aloc)-oh188970-92-578 % similar Fmoc-glu(oall)-oh133464-46-775 % similar Fmoc-D-lys(Z)-oh110990-07-374 % similar Fmoc-asp(oall)-oh146982-24-372 % similar Fmoc-D-asp(oall)-oh177609-12-072 % similar N-Boc-N'-fmoc-L-lysine84624-27-171 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(2S,4R)-Fmoc-4-amino-1-boc-pyrrolidine-2-carboxylic acid176486-63-8 4-Boc-1-fmoc-2-piperazinecarboxylic acid183742-23-6 N-Alpha-allyloxycarbonyl-N-epsilon-(9-fluorenylmethyloxycarbonyl)-L-lysine186350-56-1 1-((tert-Butoxy)carbonyl)-4-(((9H-fluoren-9-yl)methoxy)carbonyl)piperazine-2-carboxylic acid218278-58-1 (4S,5R)-3-(Fmoc-ala)-2,2,5-trimethyl-oxazolidine-4-carboxylic acid252554-79-3

Elsewhere

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