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

C17H26N2O8CAS 50715-50-9386.40 g/mol

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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

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

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 N-(tert-Butoxycarbonyl)-L-serine beta-lactone98541-64-151 % similar Boc-asp-otbu34582-32-651 % similar (R)-4-(tert-Butoxy)-3-((tert-butoxycarbonyl)amino)-4-oxobutanoic acid77004-75-251 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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