Z-D-His-oh

C14H15N3O4CAS 67424-93-5289.29 g/mol

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OOHNNHNOHO
CarbamateCarboxylic acid

Properties

Molecular formula
C14H15N3O4
Molar mass
289.29 g/mol
Exact mass
289.1063 Da
logP
1.33Crippen estimate
Polar surface area
104.3 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
6
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
67424-93-5
SMILES
C1=CC=C(C=C1)COC(=O)N[C@H](CC2=CN=CN2)C(=O)O
InChIKey
WCOJOHPAKJFUDF-GFCCVEGCSA-N
InChI
InChI=1S/C14H15N3O4/c18-13(19)12(6-11-7-15-9-16-11)17-14(20)21-8-10-4-2-1-3-5-10/h1-5,7,9,12H,6,8H2,(H,15,16)(H,17,20)(H,18,19)/t12-/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.

N-[(Phenylmethoxy)carbonyl]-L-histidine14997-58-1Enantiomer

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Tanimoto similarity of circular fingerprints over the whole catalogue.

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