Boc-N-beta-trityl-L-asparagine

C₂₈H₃₀N₂O₅CAS 132388-68-2474.56 g/mol

Open in Covalent MOL file

Amide Carbamate Carboxylic acid

Properties

Molecular formula: C₂₈H₃₀N₂O₅
Molar mass: 474.56 g/mol
Exact mass: 474.2155 Da
logP: 4.46Crippen estimate
Polar surface area: 104.7 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 8
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

132388-68-2

SMILES

CC(C)(C)OC(=O)N[C@@H](CC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O

InChIKey

PYGOCFDOBSXROC-QHCPKHFHSA-N

InChI

InChI=1S/C28H30N2O5/c1-27(2,3)35-26(34)29-23(25(32)33)19-24(31)30-28(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23H,19H2,1-3H3,(H,29,34)(H,30,31)(H,32,33)/t23-/m0/s1

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Names and synonyms

1 names

Boc-asn(trt)-OH

Work with Boc-N-beta-trityl-L-asparagine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Boc-D-asn(trt)-oh210529-01-4Enantiomer

Similar compounds

Z-Asn(trt)-oh132388-57-969 % similar Boc-S-trityl-D-cysteine87494-13-166 % similar Boc-dl-phe-oh4530-18-166 % similar Boc-L-homophenylalanine100564-78-165 % similar Boc-D-homophenylalanine82732-07-865 % similar Boc-L-asparagine(xanthyl)65420-40-864 % similar (R)-3-(Benzyloxy)-2-((tert-butoxycarbonyl)amino)propanoic acid47173-80-862 % similar Boc-D-aspartic acid 4-benzyl ester51186-58-462 % similar

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

Elsewhere

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