Fmoc-orn(aloc)-oh

C₂₄H₂₆N₂O₆CAS 147290-11-7438.48 g/mol

Open in Covalent MOL file

Alkene Carbamate Carboxylic acid

Properties

Molecular formula: C₂₄H₂₆N₂O₆
Molar mass: 438.48 g/mol
Exact mass: 438.1791 Da
logP: 3.67Crippen estimate
Polar surface area: 114.0 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 10
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

147290-11-7

SMILES

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

InChIKey

RXLIOYNXBHZZBI-NRFANRHFSA-N

InChI

InChI=1S/C24H26N2O6/c1-2-14-31-23(29)25-13-7-12-21(22(27)28)26-24(30)32-15-20-18-10-5-3-8-16(18)17-9-4-6-11-19(17)20/h2-6,8-11,20-21H,1,7,12-15H2,(H,25,29)(H,26,30)(H,27,28)/t21-/m0/s1

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Names and synonyms

1 names

Fmoc-orn(alloc)-OH

Work with Fmoc-orn(aloc)-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-L-citrulline133174-15-970 % similar Fmoc-D-lys(Z)-oh110990-07-370 % similar Fmoc-D-orn(boc)-oh118476-89-470 % similar Fmoc-D-nle-oh112883-41-766 % similar Fmoc-lys-oh105047-45-864 % similar Fmoc-L-glutamic acid121343-82-663 % similar Boc-L-2,4-diaminobutyric acid(fmoc)117106-21-563 % similar Fmoc-L-homophenylalanine132684-59-462 % similar

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

Same formula

Fmoc-gly-thr(psi me,me pro)-oh1262308-49-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook