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.

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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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