Boc-L-asparagine(xanthyl)

C22H24N2O6CAS 65420-40-8412.44 g/mol

Open in Covalent MOL file
OONHOHNOOHO
AmideCarbamateCarboxylic acidEther

Properties

Molecular formula
C22H24N2O6
Molar mass
412.44 g/mol
Exact mass
412.1634 Da
logP
3.37Crippen estimate
Polar surface area
114.0 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Hazards

Not classified as hazardous under GHS by 2 ECHA notifiers. Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
65420-40-8
SMILES
CC(C)(C)OC(=O)N[C@@H](CC(=O)NC1C2=CC=CC=C2OC3=CC=CC=C13)C(=O)O
InChIKey
YMGDQLXBNMRJMR-HNNXBMFYSA-N
InChI
InChI=1S/C22H24N2O6/c1-22(2,3)30-21(28)23-15(20(26)27)12-18(25)24-19-13-8-4-6-10-16(13)29-17-11-7-5-9-14(17)19/h4-11,15,19H,12H2,1-3H3,(H,23,28)(H,24,25)(H,26,27)/t15-/m0/s1

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Names and synonyms

1 names
  • N-Boc-N'-xanthyl-L-asparagine

Work with Boc-L-asparagine(xanthyl)

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

Boc-N-beta-trityl-L-asparagine132388-68-264 % similar Boc-D-asn(trt)-oh210529-01-464 % similar Boc-dl-phe-oh4530-18-158 % similar Boc-asp(ofm)-oh117014-32-157 % similar Boc-L-homophenylalanine100564-78-157 % similar Boc-D-homophenylalanine82732-07-857 % similar (R)-2-((tert-Butoxycarbonyl)amino)-2-(2-methoxyphenyl)acetic acid1217786-73-656 % similar (R)-3-(Benzyloxy)-2-((tert-butoxycarbonyl)amino)propanoic acid47173-80-855 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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