chempirical

N-α-Fluorenylmethoxycarbonyl-N-δ-tert-butoxycarbonyl-L-ornithine

C25H30N2O6CAS 109425-55-0454.52 g/mol

Open in Covalent MOL file
OOHNNHOOOOH
Carboxylic acid

Properties

Molecular formula
C25H30N2O6
Molar mass
454.52 g/mol
Exact mass
454.2104 Da
Melting point
93–94 °C
logP
4.69Crippen estimate
Polar surface area
120.9 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
8
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
109425-55-0
SMILES
CC(C)(C)OC(O)=NCCC[C@H](N=C(O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIKey
JOOIZTMAHNLNHE-NRFANRHFSA-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-/m0/s1

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

Names and synonyms

5 names
  • L-Ornithine, N5-[(1,1-dimethylethoxy)carbonyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-
  • N5-[(1,1-Dimethylethoxy)carbonyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-ornithine
  • (S)-5-[(tert-Butoxycarbonyl)amino]-2-[[[(9H-fluoren-9-yl)methoxy]carbonyl]amino]pentanoic acid
  • Fmoc-L-orn(boc)-OH
  • (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

Work with N-α-Fluorenylmethoxycarbonyl-N-δ-tert-butoxycarbonyl-L-ornithine

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(boc)-oh71989-26-995 % similar N-(9-Fluorenylmethoxycarbonyl)-L-glutamic acid γ-tert-butyl ester71989-18-975 % similar N-[(1,1-Dimethylethoxy)carbonyl]-3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-D-alanine131570-56-473 % similar Fmoc-L-asp(otbu)-oh71989-14-573 % similar N-(9-Fluorenylmethoxycarbonyl)-O-tert-butylserine71989-33-869 % similar N2-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N6-[(2-propen-1-yloxy)carbonyl]-D-lysine214750-75-167 % similar N6-[(1,1-Dimethylethoxy)carbonyl]-N2-[(phenylmethoxy)carbonyl]-L-lysine2389-60-867 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-N5-[(phenylmethoxy)carbonyl]-D-ornithine16937-92-165 % similar

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

Same formula

Fmoc-D-orn(boc)-oh118476-89-4 Boc-orn(fmoc)-oh150828-96-9

Elsewhere

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