chempirical

N-Alpha-t-Butyloxycarbonyl-L-aspartic acid alpha-succinimidyl beta-t-butyl ester

C17H26N2O8CAS 50715-50-9386.40 g/mol

Open in Covalent MOL file
OOOONOONHOO
AmideCarbamateEsterLactam

Properties

Molecular formula
C17H26N2O8
Molar mass
386.40 g/mol
Exact mass
386.1689 Da
logP
1.22Crippen estimate
Polar surface area
128.3 Ų
H-bond donors / acceptors
1 / 8
Rotatable bonds
5
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
50715-50-9
SMILES
CC(C)(C)OC(=O)C[C@@H](C(=O)ON1C(=O)CCC1=O)NC(=O)OC(C)(C)C
InChIKey
PIITZDSTZQZNQH-JTQLQIEISA-N
InChI
InChI=1S/C17H26N2O8/c1-16(2,3)25-13(22)9-10(18-15(24)26-17(4,5)6)14(23)27-19-11(20)7-8-12(19)21/h10H,7-9H2,1-6H3,(H,18,24)/t10-/m0/s1

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Names and synonyms

1 names
  • Boc-asp(otbu)-osu

Work with N-Alpha-t-Butyloxycarbonyl-L-aspartic acid alpha-succinimidyl beta-t-butyl 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

N,N'-Di-boc-L-lysine hydroxysuccinimide ester30189-36-768 % similar Boc-ser(bzl)-osu13650-73-260 % similar Boc-L-aspartic acid 4-tert-butyl ester1676-90-059 % similar Boc-beta-ala-osu32703-87-054 % similar (R)-tert-Butyl (2-oxooxetan-3-yl)carbamate126330-77-651 % similar Boc-asp-otbu34582-32-651 % similar (R)-4-(tert-Butoxy)-3-((tert-butoxycarbonyl)amino)-4-oxobutanoic acid77004-75-251 % similar 6-(Boc-amino)caproic acid N-succinimidyl ester51513-80-550 % similar

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

Elsewhere

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