Cbz-L-glutamic acid 1-benzyl ester

C₂₀H₂₁NO₆CAS 3705-42-8371.39 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ester

Properties

Molecular formula: C₂₀H₂₁NO₆
Molar mass: 371.39 g/mol
Exact mass: 371.1369 Da
logP: 2.89Crippen estimate
Polar surface area: 101.9 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 9
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

3705-42-8

SMILES

C1=CC=C(C=C1)COC(=O)[C@H](CCC(=O)O)NC(=O)OCC2=CC=CC=C2

InChIKey

VWHKODOUMSMUAF-KRWDZBQOSA-N

InChI

InChI=1S/C20H21NO6/c22-18(23)12-11-17(19(24)26-13-15-7-3-1-4-8-15)21-20(25)27-14-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,21,25)(H,22,23)/t17-/m0/s1

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Names and synonyms

1 names

(4S)-5-(Benzyloxy)-4-(((benzyloxy)carbonyl)amino)-5-oxopentanoic acid

Work with Cbz-L-glutamic acid 1-benzyl ester

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Z-D-Glu-OBzl65706-99-2Enantiomer

Similar compounds

Z-Glu-ome5672-83-383 % similar Fmoc-glu-obzl122350-52-178 % similar Z-D-Glu-oh63648-73-778 % similar N-Alpha-t-Butyloxycarbonyl-D-glutamic acid benzyl ester34404-30-378 % similar Z-Glu-otbu5891-45-278 % similar Z-Asp-obzl4779-31-178 % similar N-Cbz-L-homoserine lactone35677-89-569 % similar Benzyl N-((benzyloxy)carbonyl)-L-serinate21209-51-867 % similar

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

Same formula

5-(Phenylmethyl) hydrogen N-((phenylmethoxy)carbonyl)-L-glutamate5680-86-4 z-d-Glu(obzl)-oh59486-73-6

Elsewhere

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