chempirical

Boc-his(boc)-OH

C16H25N3O6CAS 20866-46-0355.39 g/mol

Open in Covalent MOL file
OONHNNOOOHO
CarbamateCarboxylic acid

Properties

Molecular formula
C16H25N3O6
Molar mass
355.39 g/mol
Exact mass
355.1743 Da
logP
2.19Crippen estimate
Polar surface area
119.8 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
4
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
20866-46-0
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CN(C=N1)C(=O)OC(C)(C)C)C(=O)O
InChIKey
IXHPIPUIOSSAIS-NSHDSACASA-N
InChI
InChI=1S/C16H25N3O6/c1-15(2,3)24-13(22)18-11(12(20)21)7-10-8-19(9-17-10)14(23)25-16(4,5)6/h8-9,11H,7H2,1-6H3,(H,18,22)(H,20,21)/t11-/m0/s1

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Names and synonyms

1 names
  • N,N'-Di-tert-butoxycarbonyl-L-histidine

Work with Boc-his(boc)-OH

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-His(Boc)-OH dicyclohexylamine (1:1)31687-58-8Salt

Similar compounds

Boc-his(Z)-oh50305-43-678 % similar Fmoc-his(boc)-oh81379-52-477 % similar Boc-his(1-me)-oh61070-20-075 % similar Boc-3-(2-pyridyl)-Ala-OH71239-85-563 % similar Boc-trp(boc)-oh144599-95-157 % similar Boc-dl-phe-oh4530-18-156 % similar Boc-D-tyr-oh70642-86-355 % similar Boc-his(boc)-aib-glu(otbu)-gly-oh1169630-31-255 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook