chempirical

Fmoc-glu-obzl

C27H25NO6CAS 122350-52-1459.50 g/mol

Open in Covalent MOL file
OOOHONHOO
CarbamateCarboxylic acidEster

Properties

Molecular formula
C27H25NO6
Molar mass
459.50 g/mol
Exact mass
459.1682 Da
logP
4.50Crippen estimate
Polar surface area
101.9 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
9
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
122350-52-1
SMILES
C1=CC=C(C=C1)COC(=O)[C@H](CCC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChIKey
FMWLYDDRYGOYMY-DEOSSOPVSA-N
InChI
InChI=1S/C27H25NO6/c29-25(30)15-14-24(26(31)33-16-18-8-2-1-3-9-18)28-27(32)34-17-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,23-24H,14-17H2,(H,28,32)(H,29,30)/t24-/m0/s1

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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-glu-otbu109745-15-571 % similar Fmoc-L-glutamic acid121343-82-671 % similar Fmoc-L-homophenylalanine132684-59-460 % similar Fmoc-L-aspartic acid119062-05-459 % similar Fmoc-D-lys(Z)-oh110990-07-358 % similar N-Alpha-tert-Butyloxycarbonylaspartic acid beta-fluorenylmethyl ester129046-87-357 % similar (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid129460-09-957 % similar Fmoc-gamma-abu-oh116821-47-755 % similar

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

Same formula

5-(Phenylmethyl) hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutamate123639-61-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook