Fmoc-D-orn(boc)-oh

C₂₅H₃₀N₂O₆CAS 118476-89-4454.52 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₂₅H₃₀N₂O₆
Molar mass: 454.52 g/mol
Exact mass: 454.2104 Da
logP: 4.28Crippen estimate
Polar surface area: 114.0 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 8
Stereocentres: Rin SMILES atom order

Hazards

Warning

H400 Very toxic to aquatic life100% of notifiers
H410 Very toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number

118476-89-4

SMILES

CC(C)(C)OC(=O)NCCC[C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

InChIKey

JOOIZTMAHNLNHE-OAQYLSRUSA-N

InChI

InChI=1S/C25H30N2O6/c1-25(2,3)33-23(30)26-14-8-13-21(22(28)29)27-24(31)32-15-20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20/h4-7,9-12,20-21H,8,13-15H2,1-3H3,(H,26,30)(H,27,31)(H,28,29)/t21-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Fmoc-D-orn(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

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.

(2S)-5-(((tert-Butoxy)carbonyl)amino)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)pentanoic acid109425-55-0Enantiomer

Similar compounds

(2R)-6-(((tert-Butoxy)carbonyl)amino)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)hexanoic acid92122-45-795 % similar N-Boc-N'-fmoc-L-lysine84624-27-189 % similar Fmoc-dab(boc)-oh125238-99-589 % similar Boc-L-2,4-diaminobutyric acid(fmoc)117106-21-584 % similar N-Fmoc-N'-boc-L-2,3-diaminopropionic acid162558-25-079 % similar Fmoc-D-dap(boc)-oh198544-42-279 % similar (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-6-(tert-butoxy)-6-oxohexanoic acid159751-47-078 % similar Fmoc-lys(fmoc)-oh78081-87-577 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Boc-orn(fmoc)-oh150828-96-9

Elsewhere

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