Boc-L-4,4'-biphenylalanine

C20H23NO4CAS 147923-08-8341.41 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
3.87Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
147923-08-8
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O
InChIKey
NBVVKAUSAGHTSU-KRWDZBQOSA-N
InChI
InChI=1S/C20H23NO4/c1-20(2,3)25-19(24)21-17(18(22)23)13-14-9-11-16(12-10-14)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3,(H,21,24)(H,22,23)/t17-/m0/s1

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Names and synonyms

1 names
  • N-Alpha-t-Butyloxycarbonyl-L-biphenylalanine (Boc-L-Bip-OH)

Work with Boc-L-4,4'-biphenylalanine

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.

Boc-D-4,4'-biphenylalanine128779-47-5Enantiomer

Similar compounds

Boc-dl-phe-oh4530-18-186 % similar Boc-D-bpa-oh117666-94-178 % similar Boc-D-tyr-oh70642-86-377 % similar Boc-D-tyr(bzl)-oh63769-58-475 % similar Boc-4-iodo-D-phenylalanine176199-35-273 % similar Boc-L-4-fluorophe41153-30-473 % similar (2S)-2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid47375-34-873 % similar Boc-4-amino-L-phenylalanine55533-24-973 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Efaproxiral131179-95-8 Boc-L-3,3-diphenylalanine138662-63-2 Naltrexone16590-41-3 (+)-Isocorydine475-67-2 1-[(3,4-Dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxyisoquinoline6957-27-3

Elsewhere

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