Boc-L-asparagine(xanthyl)

C₂₂H₂₄N₂O₆CAS 65420-40-8412.44 g/mol

Open in Covalent MOL file

Amide Carbamate Carboxylic acid Ether

Properties

Molecular formula: C₂₂H₂₄N₂O₆
Molar mass: 412.44 g/mol
Exact mass: 412.1634 Da
logP: 3.37Crippen estimate
Polar surface area: 114.0 Å²
H-bond donors / acceptors: 3 / 5
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

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

Weigh it out

Type any one amount. The others follow from the molar mass.

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

PubChem CAS Common Chemistry NIST WebBook