Z-Glu-otbu

C17H23NO6CAS 5891-45-2337.37 g/mol

Open in Covalent MOL file
OOOOHNHOO
CarbamateCarboxylic acidEster

Properties

Molecular formula
C17H23NO6
Molar mass
337.37 g/mol
Exact mass
337.1525 Da
logP
2.49Crippen estimate
Polar surface area
101.9 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
7
Stereocentres
Sin SMILES atom order

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
5891-45-2
SMILES
CC(C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)OCC1=CC=CC=C1
InChIKey
VJECGKAFPHEJQS-ZDUSSCGKSA-N
InChI
InChI=1S/C17H23NO6/c1-17(2,3)24-15(21)13(9-10-14(19)20)18-16(22)23-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,19,20)/t13-/m0/s1

Weigh it out

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Work with Z-Glu-otbu

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

Cbz-L-glutamic acid 1-benzyl ester3705-42-878 % similar Z-D-Glu-OBzl65706-99-278 % similar Z-Glu-ome5672-83-375 % similar Fmoc-D-glu-otbu109745-15-571 % similar Fmoc-L-glutamic acid 1-tert-butyl ester84793-07-771 % similar Boc-D-glu-otbu73872-71-668 % similar Z-D-Glu-oh63648-73-768 % similar Fmoc-glu-obzl122350-52-163 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-(Phenylmethyl) hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate13574-13-5 Boc-L-beta-Homoaspartic acid254101-10-5 1-(Phenylmethyl) hydrogen N-((1,1-dimethylethoxy)carbonyl)-L-glutamate30924-93-7 N-Alpha-t-Butyloxycarbonyl-D-glutamic acid benzyl ester34404-30-3 Boc-D-glutamic acid 5-benzyl ester35793-73-8 5-tert-Butyl N-((phenylmethoxy)carbonyl)-L-glutamate3886-08-6 Z-D-Glu(otbu)-oh51644-83-8

Elsewhere

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