Fmoc-beta-Glu(OtBu)-OH

C₂₄H₂₇NO₆CAS 209252-17-5425.48 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ester

Properties

Molecular formula: C₂₄H₂₇NO₆
Molar mass: 425.48 g/mol
Exact mass: 425.1838 Da
logP: 4.10Crippen estimate
Polar surface area: 101.9 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 7
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

209252-17-5

SMILES

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

InChIKey

XXXSUGLINJXRGT-OAHLLOKOSA-N

InChI

InChI=1S/C24H27NO6/c1-24(2,3)31-22(28)13-15(12-21(26)27)25-23(29)30-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20H,12-14H2,1-3H3,(H,25,29)(H,26,27)/t15-/m1/s1

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Names and synonyms

1 names

Fmoc-L-beta-glutamic acid 5-tert-butyl ester

Work with Fmoc-beta-Glu(OtBu)-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-beta-Hoglu(Otbu)-OH203854-49-384 % similar Fmoc-D-aspartic acid beta-tert-butyl ester112883-39-372 % similar Fmoc-L-beta-homolysine(boc)203854-47-171 % similar (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid129460-09-971 % similar Fmoc-D-asp-otbu134098-70-771 % similar N-Alpha-tert-Butyloxycarbonylaspartic acid beta-fluorenylmethyl ester129046-87-368 % similar Fmoc-L-beta-homoleucine193887-44-467 % similar Fmoc-L-beta-homophenylalanine193954-28-866 % similar

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

Same formula

Fmoc-D-glu-otbu109745-15-5 Boc-glu(ofm)-oh123417-18-5 N-Alpha-(9-Fluorenylmethyloxycarbonyl)-N-alpha-methyl-L-aspartic acid beta-t-butyl ester152548-66-8 N-(9-Fluorenylmethoxycarbonyl)-L-glutamic acid γ-tert-butyl ester71989-18-9

Elsewhere

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