N-Boc-beta-phenyl-L-phenylalaninol

C20H25NO3CAS 155836-47-8327.42 g/mol

Open in Covalent MOL file
OONHOH
AlcoholCarbamate

Properties

Molecular formula
C20H25NO3
Molar mass
327.42 g/mol
Exact mass
327.1834 Da
logP
3.70Crippen estimate
Polar surface area
58.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
5
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
155836-47-8
SMILES
CC(C)(C)OC(=O)N[C@H](CO)C(C1=CC=CC=C1)C2=CC=CC=C2
InChIKey
OGVCRJDQGBIHAG-QGZVFWFLSA-N
InChI
InChI=1S/C20H25NO3/c1-20(2,3)24-19(23)21-17(14-22)18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17-18,22H,14H2,1-3H3,(H,21,23)/t17-/m1/s1

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Names and synonyms

1 names
  • (S)-tert-Butyl (3-hydroxy-1,1-diphenylpropan-2-yl)carbamate

Work with N-Boc-beta-phenyl-L-phenylalaninol

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.

1,1-Dimethylethyl N-[(1R)-1-(hydroxymethyl)-2,2-diphenylethyl]carbamate155836-48-9Enantiomer

Similar compounds

Boc-L-phenylglycinol117049-14-672 % similar Boc-O-benzyl-D-threoninol168034-31-964 % similar tert-Butyl N-((2R)-1-hydroxy-3-phenylpropan-2-yl)carbamate106454-69-763 % similar N-Boc-DL-phenylalaninol145149-48-063 % similar tert-Butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate66605-57-063 % similar Boc-L-3,3-diphenylalanine138662-63-262 % similar tert-Butyl (3S,4R)-4-phenylpyrrolidin-3-ylcarbamate351360-61-762 % similar Boc-D-valinol106391-87-160 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Lcz696 intemediate1426129-50-1 2-[(1,1-Dimethylethyl)(phenylmethyl)amino]-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethanone64092-10-0

Elsewhere

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