Fmoc-lys(fmoc)-oh

C36H34N2O6CAS 78081-87-5590.68 g/mol

Open in Covalent MOL file
OONHOHONHOO
CarbamateCarboxylic acid

Properties

Molecular formula
C36H34N2O6
Molar mass
590.68 g/mol
Exact mass
590.2417 Da
logP
6.69Crippen estimate
Polar surface area
114.0 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
11
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 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
78081-87-5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCCC[C@@H](C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
InChIKey
BMJRTKDVFXYEFS-XIFFEERXSA-N
InChI
InChI=1S/C36H34N2O6/c39-34(40)33(38-36(42)44-22-32-29-17-7-3-13-25(29)26-14-4-8-18-30(26)32)19-9-10-20-37-35(41)43-21-31-27-15-5-1-11-23(27)24-12-2-6-16-28(24)31/h1-8,11-18,31-33H,9-10,19-22H2,(H,37,41)(H,38,42)(H,39,40)/t33-/m0/s1

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Work with Fmoc-lys(fmoc)-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-D-lys(Z)-oh110990-07-387 % similar Fmoc-lys(aloc)-oh146982-27-684 % similar N-Alpha-allyloxycarbonyl-N-epsilon-(9-fluorenylmethyloxycarbonyl)-L-lysine186350-56-184 % similar N-Boc-N'-fmoc-L-lysine84624-27-183 % similar Fmoc-lys(ac)-OH159766-56-083 % similar (2R)-6-(((tert-Butoxy)carbonyl)amino)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)hexanoic acid92122-45-782 % similar Fmoc-orn(Z)-oh138775-07-281 % similar Fmoc-orn(aloc)-oh147290-11-779 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook