chempirical

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

C17H23NO6CAS 30924-93-7337.37 g/mol

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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

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

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Names and synonyms

5 names
  • 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

Similar compounds

N-(tert-Butoxycarbonyl)aspartic acid benzyl ester30925-18-981 % 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]-N6-[(phenylmethoxy)carbonyl]-L-lysine2389-45-960 % similar N-tert-Butoxycarbonyl-L-aspartic acid β-benzyl ester7536-58-559 % similar (βR)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]benzenepentanoic acid218608-83-458 % 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 5-(1,1-Dimethylethyl) hydrogen N-[(phenylmethoxy)carbonyl]-L-glutamate3886-08-6

Elsewhere

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