chempirical

Boc-D-4,4'-biphenylalanine

C20H23NO4CAS 128779-47-5341.41 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
Rin SMILES atom order

Identifiers

CAS number
128779-47-5
SMILES
CC(C)(C)OC(=O)N[C@H](CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O
InChIKey
NBVVKAUSAGHTSU-QGZVFWFLSA-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-/m1/s1

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Type any one amount. The others follow from the molar mass.

Work with Boc-D-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

Similar compounds

Boc-D-bpa-oh117666-94-178 % similar Boc-L-homophenylalanine100564-78-169 % similar Boc-3-methyl-L-phenylalanine114873-06-269 % similar (R)-2-((tert-Butoxycarbonyl)amino)-3-(m-tolyl)propanoic acid114873-14-269 % similar Boc-2-chloro-L-phenylalanine114873-02-867 % similar Boc-3-(3-pyridyl)-L-alanine117142-26-466 % similar (S)-3-(4-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)phenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid114346-31-564 % similar Boc-D-cys(bzl)-oh102830-49-964 % 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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