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

C16H22N2O6CAS 16947-84-5338.36 g/mol

Open in Covalent MOL file
OOHNOOHNHOO
CarbamateCarboxylic 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 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
6
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
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

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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

Z-Ndelta-Boc-L-ornithine7733-29-178 % similar Z-D-Asp(OtBu)-OH71449-08-675 % similar Boc-D-aspartic acid 4-benzyl ester51186-58-472 % similar N-Alfa-Cbz-O-t-butyl-D-serine65806-90-871 % similar Z-D-Glu(otbu)-oh51644-83-871 % similar N-Fmoc-N'-boc-L-2,3-diaminopropionic acid162558-25-070 % similar Fmoc-D-dap(boc)-oh198544-42-270 % similar (R)-3-(Benzyloxy)-2-((tert-butoxycarbonyl)amino)propanoic acid47173-80-869 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Boc-dap(Z)-oh65710-57-8 N-[(1,1-Dimethylethoxy)carbonyl]-4-nitro-L-phenylalanine ethyl ester67630-00-6

Elsewhere

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