Boc-L-3,3-diphenylalanine

C20H23NO4CAS 138662-63-2341.41 g/mol

Open in Covalent MOL file
OONHOHO
CarbamateCarboxylic acid

Properties

Molecular formula
C20H23NO4
Molar mass
341.41 g/mol
Exact mass
341.1627 Da
logP
3.80Crippen estimate
Polar surface area
75.6 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
138662-63-2
SMILES
CC(C)(C)OC(=O)N[C@@H](C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)O
InChIKey
TYJDOLCFYZSNQC-KRWDZBQOSA-N
InChI
InChI=1S/C20H23NO4/c1-20(2,3)25-19(24)21-17(18(22)23)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,16-17H,1-3H3,(H,21,24)(H,22,23)/t17-/m0/s1

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Names and synonyms

1 names
  • Boc-3,3-diphenyl-L-alanine

Work with Boc-L-3,3-diphenylalanine

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

Boc-D-phenylglycine33125-05-274 % similar tert-Butoxycarbonylamino-phenyl-acetic acid3601-66-974 % similar (2R,3S)-Boc-3-phenylisoserine145514-62-166 % similar N-Boc-beta-phenyl-L-phenylalaninol155836-47-862 % similar Boc-D-valine22838-58-060 % similar Boc-dl-valine54895-12-460 % similar Boc-dl-phe-oh4530-18-160 % similar Fmoc-3,3-diphenyl-L-alanine201484-50-660 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Boc-D-4,4'-biphenylalanine128779-47-5 Efaproxiral131179-95-8 Boc-L-4,4'-biphenylalanine147923-08-8 Naltrexone16590-41-3 (+)-Isocorydine475-67-2 1-[(3,4-Dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxyisoquinoline6957-27-3

Elsewhere

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