chempirical

Boc-his(Z)-oh

C19H23N3O6CAS 50305-43-6389.41 g/mol

Open in Covalent MOL file
OOHNNNOOOOH
CarbamateCarboxylic acid

Properties

Molecular formula
C19H23N3O6
Molar mass
389.41 g/mol
Exact mass
389.1587 Da
logP
2.59Crippen estimate
Polar surface area
119.8 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
6
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
50305-43-6
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CN(C=N1)C(=O)OCC2=CC=CC=C2)C(=O)O
InChIKey
NKTFPUKOHGSCSS-HNNXBMFYSA-N
InChI
InChI=1S/C19H23N3O6/c1-19(2,3)28-17(25)21-15(16(23)24)9-14-10-22(12-20-14)18(26)27-11-13-7-5-4-6-8-13/h4-8,10,12,15H,9,11H2,1-3H3,(H,21,25)(H,23,24)/t15-/m0/s1

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Work with Boc-his(Z)-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

Similar compounds

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

Elsewhere

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