chempirical

Fmoc-dopa(acetonide)-oh

C27H25NO6CAS 852288-18-7459.50 g/mol

Open in Covalent MOL file
OOOOHNHOO
AcetalCarbamateCarboxylic acidEther

Properties

Molecular formula
C27H25NO6
Molar mass
459.50 g/mol
Exact mass
459.1682 Da
logP
4.73Crippen estimate
Polar surface area
94.1 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
852288-18-7
SMILES
CC1(OC2=C(O1)C=C(C=C2)C[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C
InChIKey
SHZLOTJPHMTVDI-QFIPXVFZSA-N
InChI
InChI=1S/C27H25NO6/c1-27(2)33-23-12-11-16(14-24(23)34-27)13-22(25(29)30)28-26(31)32-15-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-12,14,21-22H,13,15H2,1-2H3,(H,28,31)(H,29,30)/t22-/m0/s1

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Work with Fmoc-dopa(acetonide)-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

(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-(tert-butoxy)phenyl)propanoic acid118488-18-970 % similar Fmoc-2-nal-oh112883-43-969 % similar Fmoc-3-(2-naphthyl)-D-alanine138774-94-469 % similar Fmoc-phe-oh286460-71-767 % similar Fmoc-D-phenylalanine86123-10-667 % similar Fmoc-L-4-methylphe199006-54-767 % similar Fmoc-D-4-methylphe204260-38-867 % similar Fmoc-D-tyr-oh112883-29-167 % similar

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

Same formula

Fmoc-glu-obzl122350-52-1 5-(Phenylmethyl) hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutamate123639-61-2

Elsewhere

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