Fmoc-D-asp-otbu

C₂₃H₂₅NO₆CAS 134098-70-7411.45 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ester

Properties

Molecular formula: C₂₃H₂₅NO₆
Molar mass: 411.45 g/mol
Exact mass: 411.1682 Da
logP: 3.71Crippen estimate
Polar surface area: 101.9 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 6
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

134098-70-7

SMILES

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

InChIKey

VZXQYACYLGRQJU-LJQANCHMSA-N

InChI

InChI=1S/C23H25NO6/c1-23(2,3)30-21(27)19(12-20(25)26)24-22(28)29-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,24,28)(H,25,26)/t19-/m1/s1

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Work with Fmoc-D-asp-otbu

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-otbu109745-15-582 % similar Nalpha-fmoc-L-serine tert-butyl ester110797-35-876 % similar Fmoc-L-aspartic acid119062-05-472 % similar Fmoc-gla(otbu)2-oh111662-64-769 % similar Nalpha-((9H-Fluoren-9-ylmethoxy)carbonyl)-L-threonine tert-Butyl Ester120791-76-664 % similar 9-Fluorenylmethyloxycarbonyl-D-Ser(t-butyl)-OH128107-47-162 % similar Boc-dap(fmoc)-oh122235-70-562 % similar Fmoc-dab(boc)-oh125238-99-561 % similar

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

Same formula

Fmoc-D-aspartic acid beta-tert-butyl ester112883-39-3 Boc-asp(ofm)-oh117014-32-1 N-Alpha-tert-Butyloxycarbonylaspartic acid beta-fluorenylmethyl ester129046-87-3 (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid129460-09-9 Fmoc-L-asp(otbu)-oh71989-14-5

Elsewhere

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