Z-D-Glu(otbu)-oh

C17H23NO6CAS 51644-83-8337.37 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
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
51644-83-8
SMILES
CC(C)(C)OC(=O)CC[C@H](C(=O)O)NC(=O)OCC1=CC=CC=C1
InChIKey
GLMODRZPPBZPPB-CYBMUJFWSA-N
InChI
InChI=1S/C17H23NO6/c1-17(2,3)24-14(19)10-9-13(15(20)21)18-16(22)23-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,20,21)/t13-/m1/s1

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Work with Z-D-Glu(otbu)-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.

5-tert-Butyl N-((phenylmethoxy)carbonyl)-L-glutamate3886-08-6Enantiomer

Similar compounds

Z-D-Asp(OtBu)-OH71449-08-682 % similar Z-D-Glu(ome)-oh27025-24-775 % similar Z-Glu(ome)-oh4652-65-775 % similar Z-Ndelta-Boc-L-ornithine7733-29-175 % similar Boc-D-aspartic acid 4-benzyl ester51186-58-472 % similar L-N-Cbz-3-N-boc-amino-alanine16947-84-571 % similar N-Alfa-Cbz-O-t-butyl-D-serine65806-90-869 % similar Boc-D-glu(otbu)-oh104719-63-368 % 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 Z-Glu-otbu5891-45-2

Elsewhere

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