Z-D-Glu(ome)-oh

C14H17NO6CAS 27025-24-7295.29 g/mol

Open in Covalent MOL file
OOOOHNHOO
CarbamateCarboxylic acidEster

Properties

Molecular formula
C14H17NO6
Molar mass
295.29 g/mol
Exact mass
295.1056 Da
logP
1.32Crippen estimate
Polar surface area
101.9 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
7
Stereocentres
Rin 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
27025-24-7
SMILES
COC(=O)CC[C@H](C(=O)O)NC(=O)OCC1=CC=CC=C1
InChIKey
JSNVOAWDAFVIKY-LLVKDONJSA-N
InChI
InChI=1S/C14H17NO6/c1-20-12(16)8-7-11(13(17)18)15-14(19)21-9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,19)(H,17,18)/t11-/m1/s1

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Names and synonyms

1 names
  • (R)-2-(((Benzyloxy)carbonyl)amino)-5-methoxy-5-oxopentanoic acid

Work with Z-D-Glu(ome)-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

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-Glu(ome)-oh4652-65-7Enantiomer

Similar compounds

(2S)-2-(((Benzyloxy)carbonyl)amino)-4-methoxy-4-oxobutanoic acid3160-47-280 % similar Z-D-Glu(otbu)-oh51644-83-875 % similar Z-D-Glu-oh63648-73-772 % similar Z-D-Gln-oh13139-52-171 % similar N-Carbobenzoxy-dl-norleucine15027-13-171 % similar Z-D-Nva-oh42918-89-870 % similar Boc-D-glutamic acid 5-benzyl ester35793-73-869 % similar N-Alpha-Benzyloxycarbonyl-L-ornithine2640-58-667 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1H-Indol-3-yl beta-D-galactopyranoside126787-65-3 Indoxyl-beta-D-glucoside487-60-5 Z-Glu-ome5672-83-3

Elsewhere

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