chempirical

Fmoc-D-orn(boc)-oh

C25H30N2O6CAS 118476-89-4454.52 g/mol

Open in Covalent MOL file
OOHNOOHNHOO
CarbamateCarboxylic 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 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
8
Stereocentres
Rin SMILES atom order

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

Similar compounds

Fmoc-dab(boc)-oh125238-99-589 % similar Boc-L-2,4-diaminobutyric acid(fmoc)117106-21-584 % similar Boc-glu(ofm)-oh123417-18-576 % similar Fmoc-D-aspartic acid beta-tert-butyl ester112883-39-374 % similar Boc-asp(ofm)-oh117014-32-174 % similar Boc-dap(fmoc)-oh122235-70-574 % similar Fmoc-L-citrulline133174-15-972 % similar Fmoc-D-nle-oh112883-41-770 % similar

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

Same formula

N-α-Fluorenylmethoxycarbonyl-N-δ-tert-butoxycarbonyl-L-ornithine109425-55-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook