Boc-D-his-oh

C11H17N3O4CAS 50654-94-9255.27 g/mol

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OONHNHNOHO
CarbamateCarboxylic acid

Properties

Molecular formula
C11H17N3O4
Molar mass
255.27 g/mol
Exact mass
255.1219 Da
logP
0.93Crippen estimate
Polar surface area
104.3 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
4
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
50654-94-9
SMILES
CC(C)(C)OC(=O)N[C@H](CC1=CN=CN1)C(=O)O
InChIKey
AYMLQYFMYHISQO-MRVPVSSYSA-N
InChI
InChI=1S/C11H17N3O4/c1-11(2,3)18-10(17)14-8(9(15)16)4-7-5-12-6-13-7/h5-6,8H,4H2,1-3H3,(H,12,13)(H,14,17)(H,15,16)/t8-/m1/s1

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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.

(tert-Butoxycarbonyl)-L-histidine17791-52-5Enantiomer

Similar compounds

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Tanimoto similarity of circular fingerprints over the whole catalogue.

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Elsewhere

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