chempirical

Z-D-His-oh

C14H15N3O4CAS 67424-93-5289.29 g/mol

Open in Covalent MOL file
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. Search the SDS library

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Z-D-His-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.

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

Similar compounds

Fmoc-his-oh116611-64-470 % similar Z-D-Tyr-oh64205-12-563 % similar Boc-D-his-oh50654-94-963 % similar N-Cbz-D-serine6081-61-462 % similar Z-Tyr(bzl)-oh16677-29-561 % similar (S)-2-(((Benzyloxy)carbonyl)amino)-3-(4-fluorophenyl)propanoic acid17543-58-761 % similar Cbz-3-(2-naphthyl)-D-alanine143218-10-460 % similar N-Carbobenzoxy-dl-aspartic acid4515-21-359 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook