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.

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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

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Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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