Boc-his(boc)-OH
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
Danger
- H315 Causes skin irritation50% of notifiers
- H319 Causes serious eye irritation50% of notifiers
- H340 May cause genetic defects50% of notifiers
- H350 May cause cancer50% of notifiers
- H372 Causes damage to organs through prolonged or repeated exposure50% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P260, P264, P264+P265, P270, P280, P302+P352, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P405, P501
Identifiers
CAS number
20866-46-0SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CN(C=N1)C(=O)OC(C)(C)C)C(=O)OInChIKey
IXHPIPUIOSSAIS-NSHDSACASA-NInChI
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/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- N,N'-Di-tert-butoxycarbonyl-L-histidine
Work with Boc-his(boc)-OH
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.
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-D-2-pyridylalanine98266-32-163 % similar
Boc-trp(boc)-oh144599-95-157 % similar
Boc-dl-phe-oh4530-18-156 % similar
Boc-D-tyr-oh70642-86-355 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.