chempirical

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

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

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

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

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-(1,1-Dimethylethyl) hydrogen N-[(phenylmethoxy)carbonyl]-L-glutamate3886-08-6 Z-D-Glu(otbu)-oh51644-83-8

Elsewhere

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