chempirical

Z-Thr(bzl)-oh

C19H21NO5CAS 69863-36-1343.38 g/mol

Open in Covalent MOL file
OHONHOOO
CarbamateCarboxylic acidEther

Properties

Molecular formula
C19H21NO5
Molar mass
343.38 g/mol
Exact mass
343.1420 Da
logP
2.97Crippen estimate
Polar surface area
84.9 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
8
Stereocentres
R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
69863-36-1
SMILES
C[C@H]([C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1)OCC2=CC=CC=C2
InChIKey
FVKJXAYBJIAXAU-PBHICJAKSA-N
InChI
InChI=1S/C19H21NO5/c1-14(24-12-15-8-4-2-5-9-15)17(18(21)22)20-19(23)25-13-16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3,(H,20,23)(H,21,22)/t14-,17+/m1/s1

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Work with Z-Thr(bzl)-oh

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

(2S,3R)-3-(Benzyloxy)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)butanoic acid117872-75-076 % similar Cbz-D-valine1685-33-276 % similar Z-D-Thr-oh80384-27-672 % similar N-Cbz-D-alanine26607-51-267 % similar N-Cbz-D-leucine28862-79-562 % similar N-Carbobenzoxy-dl-leucine3588-60-162 % similar Z-Phg-oh53990-33-362 % similar 2-(((Benzyloxy)carbonyl)amino)-2-hydroxyacetic acid56538-57-962 % similar

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

Same formula

N-[(Phenylmethoxy)carbonyl]-L-threonine phenylmethyl ester16597-50-5

Elsewhere

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