1-(Phenylmethyl) hydrogen N-((1,1-dimethylethoxy)carbonyl)-L-glutamate

C17H23NO6CAS 30924-93-7337.37 g/mol

Open in Covalent MOL file
OONHOHOOO
Carboxylic acidEster

Properties

Molecular formula
C17H23NO6
Molar mass
337.37 g/mol
Exact mass
337.1525 Da
logP
2.69Crippen estimate
Polar surface area
105.4 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
7
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
30924-93-7
SMILES
CC(C)(C)OC(O)=N[C@@H](CCC(=O)O)C(=O)OCc1ccccc1
InChIKey
CVZUKWBYQQYBTF-ZDUSSCGKSA-N
InChI
InChI=1S/C17H23NO6/c1-17(2,3)24-16(22)18-13(9-10-14(19)20)15(21)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.

Names and synonyms

6 names
  • 1-(Phenylmethyl) hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate
  • L-Glutamic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 1-(phenylmethyl) ester
  • N-tert-Butoxycarbonyl-L-glutamic acid α-benzyl ester
  • N-tert-Butoxycarbonylglutamic acid α-benzyl ester
  • N-(tert-Butoxycarbonyl)-L-glutamic acid 1-benzyl ester
  • (4S)-4-[(2-Methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylmethoxypentanoic acid

Work with 1-(Phenylmethyl) hydrogen N-((1,1-dimethylethoxy)carbonyl)-L-glutamate

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.

N-Alpha-t-Butyloxycarbonyl-D-glutamic acid benzyl ester34404-30-3Enantiomer

Similar compounds

(3S)-4-(Benzyloxy)-3-(((tert-butoxy)carbonyl)amino)-4-oxobutanoic acid30925-18-981 % similar N-(tert-Butoxycarbonyl)-L-glutamic acid 1-tert-butyl ester24277-39-268 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-N6-[(phenylmethoxy)carbonyl]-L-lysine 2,5-dioxo-1-pyrrolidinyl ester34404-36-962 % similar N-(Benzyloxycarbonyl)-L-glutamic acid1155-62-062 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-N5-[(phenylmethoxy)carbonyl]-D-ornithine16937-92-161 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-N5-[(phenylmethoxy)carbonyl]-L-ornithine2480-93-561 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-N6-[(phenylmethoxy)carbonyl]-L-lysine2389-45-960 % similar N-tert-Butoxycarbonyl-L-aspartic acid β-benzyl ester7536-58-559 % 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 Boc-D-glutamic acid 5-benzyl ester35793-73-8 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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