N-Alpha-tert-Butyloxycarbonylaspartic acid beta-fluorenylmethyl ester

C23H25NO6CAS 129046-87-3411.45 g/mol

Open in Covalent MOL file
OONHOHOOO
CarbamateCarboxylic acidEster

Properties

Molecular formula
C23H25NO6
Molar mass
411.45 g/mol
Exact mass
411.1682 Da
logP
3.71Crippen estimate
Polar surface area
101.9 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.

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Identifiers

CAS number
129046-87-3
SMILES
CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChIKey
RMRKPGGMJKNMSK-IBGZPJMESA-N
InChI
InChI=1S/C23H25NO6/c1-23(2,3)30-22(28)24-19(12-20(25)26)21(27)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-/m0/s1

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Names and synonyms

1 names
  • Boc-asp-ofm

Work with N-Alpha-tert-Butyloxycarbonylaspartic acid beta-fluorenylmethyl ester

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-otbu109745-15-572 % similar Fmoc-L-glutamic acid 1-tert-butyl ester84793-07-772 % similar Fmoc-L-aspartic acid-1-benzyl ester86060-83-570 % similar Fmoc-L-aspartic acid119062-05-469 % similar Fmoc-D-asp-oh136083-57-369 % similar Fmoc-asp-oall144120-53-668 % similar Fmoc-beta-Glu(OtBu)-OH209252-17-568 % similar Nalpha-fmoc-L-serine tert-butyl ester110797-35-867 % 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 (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid129460-09-9 Fmoc-D-asp-otbu134098-70-7 Fmoc-L-asp(OtBu)-OH71989-14-5

Elsewhere

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