chempirical

Boc-D-glutamic acid 5-benzyl ester

C17H23NO6CAS 35793-73-8337.37 g/mol

Open in Covalent MOL file
OONHOOOHO
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

Not classified as hazardous under GHS by 2 ECHA notifiers. Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
35793-73-8
SMILES
CC(C)(C)OC(=O)N[C@H](CCC(=O)OCC1=CC=CC=C1)C(=O)O
InChIKey
AJDUMMXHVCMISJ-CYBMUJFWSA-N
InChI
InChI=1S/C17H23NO6/c1-17(2,3)24-16(22)18-13(15(20)21)9-10-14(19)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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Names and synonyms

1 names
  • N-Boc-D-Glutamic acid 5-benzyl ester

Work with Boc-D-glutamic acid 5-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.

5-(Phenylmethyl) hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate13574-13-5Enantiomer

Similar compounds

Boc-D-aspartic acid 4-benzyl ester51186-58-482 % similar Boc-L-homophenylalanine100564-78-173 % similar Boc-D-homophenylalanine82732-07-873 % similar Z-D-Asp(OtBu)-OH71449-08-672 % similar Z-Ndelta-Boc-L-ornithine7733-29-172 % similar Boc-dap(Z)-oh65710-57-871 % similar Boc-glu(ofm)-oh123417-18-571 % similar Boc-beta-Hoglu(Obzl)-OH218943-30-770 % similar

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

Same formula

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 5-tert-Butyl N-((phenylmethoxy)carbonyl)-L-glutamate3886-08-6 Z-D-Glu(otbu)-oh51644-83-8 Z-Glu-otbu5891-45-2

Elsewhere

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