L-N-Cbz-3-N-boc-amino-alanine

C₁₆H₂₂N₂O₆CAS 16947-84-5338.36 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₁₆H₂₂N₂O₆
Molar mass: 338.36 g/mol
Exact mass: 338.1478 Da
logP: 1.89Crippen estimate
Polar surface area: 114.0 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

16947-84-5

SMILES

CC(C)(C)OC(=O)NC[C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1

InChIKey

WJKGPJRAGHSOLM-LBPRGKRZSA-N

InChI

InChI=1S/C16H22N2O6/c1-16(2,3)24-14(21)17-9-12(13(19)20)18-15(22)23-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,18,22)(H,19,20)/t12-/m0/s1

Weigh it out

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

Work with L-N-Cbz-3-N-boc-amino-alanine

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

N-Fmoc-N'-boc-L-2,3-diaminopropionic acid162558-25-070 % similar Fmoc-D-dap(boc)-oh198544-42-270 % similar Boc-D-dab(Z)-oh dcha101854-42-667 % similar Boc-L-homophenylalanine100564-78-165 % similar Boc-dap(fmoc)-oh122235-70-565 % similar Boc-D-cys(bzl)-oh102830-49-961 % similar N-Carbobenzoxy-dl-norleucine15027-13-160 % similar Boc-D-4,4'-biphenylalanine128779-47-559 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-[(1,1-Dimethylethoxy)carbonyl]-4-nitro-L-phenylalanine ethyl ester67630-00-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook