N-Boc-N'-benzyloxymethyl-L-histidine

C19H25N3O5CAS 79950-65-5375.43 g/mol

Open in Covalent MOL file
OONHNNOOOH
CarbamateCarboxylic acidEther

Properties

Molecular formula
C19H25N3O5
Molar mass
375.43 g/mol
Exact mass
375.1794 Da
logP
2.58Crippen estimate
Polar surface area
102.7 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
8
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
79950-65-5
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CN=CN1COCC2=CC=CC=C2)C(=O)O
InChIKey
LPVKZCHCZSFTOJ-INIZCTEOSA-N
InChI
InChI=1S/C19H25N3O5/c1-19(2,3)27-18(25)21-16(17(23)24)9-15-10-20-12-22(15)13-26-11-14-7-5-4-6-8-14/h4-8,10,12,16H,9,11,13H2,1-3H3,(H,21,25)(H,23,24)/t16-/m0/s1

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Names and synonyms

1 names
  • Boc-his(3-bom)-OH

Work with N-Boc-N'-benzyloxymethyl-L-histidine

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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