chempirical

Fmoc-orn(Z)-oh

C28H28N2O6CAS 138775-07-2488.54 g/mol

Open in Covalent MOL file
OOHNOHONHOO
CarbamateCarboxylic acid

Properties

Molecular formula
C28H28N2O6
Molar mass
488.54 g/mol
Exact mass
488.1947 Da
logP
4.68Crippen estimate
Polar surface area
114.0 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
10
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
138775-07-2
SMILES
C1=CC=C(C=C1)COC(=O)NCCC[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChIKey
QRBAKCWBDLHBLR-VWLOTQADSA-N
InChI
InChI=1S/C28H28N2O6/c31-26(32)25(15-8-16-29-27(33)35-17-19-9-2-1-3-10-19)30-28(34)36-18-24-22-13-6-4-11-20(22)21-12-5-7-14-23(21)24/h1-7,9-14,24-25H,8,15-18H2,(H,29,33)(H,30,34)(H,31,32)/t25-/m0/s1

Weigh it out

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

Work with Fmoc-orn(Z)-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)-oh110990-07-394 % similar Fmoc-orn(aloc)-oh147290-11-774 % similar Boc-orn(fmoc)-oh150828-96-973 % similar Fmoc-L-citrulline133174-15-973 % similar Fmoc-D-cit-oh200344-33-873 % similar Fmoc-L-homophenylalanine132684-59-473 % similar Fmoc-D-homophenylalanine135944-09-173 % similar Fmoc-D-homophenylalanine135994-09-173 % similar

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

Elsewhere

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