chempirical

5-(Phenylmethyl) hydrogen N-[(phenylmethoxy)carbonyl]-L-glutamate

C20H21NO6CAS 5680-86-4371.39 g/mol

Open in Covalent MOL file
ONHOOOOHO
Carboxylic acidEster

Properties

Molecular formula
C20H21NO6
Molar mass
371.39 g/mol
Exact mass
371.1369 Da
Melting point
77–78 °C
logP
3.09Crippen estimate
Polar surface area
105.4 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
9
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
5680-86-4
SMILES
O=C(CC[C@H](N=C(O)OCc1ccccc1)C(=O)O)OCc1ccccc1
InChIKey
TWIVXHQQTRSWGO-KRWDZBQOSA-N
InChI
InChI=1S/C20H21NO6/c22-18(26-13-15-7-3-1-4-8-15)12-11-17(19(23)24)21-20(25)27-14-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,21,25)(H,23,24)/t17-/m0/s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • L-Glutamic acid, N-[(phenylmethoxy)carbonyl]-, 5-(phenylmethyl) ester
  • Glutamic acid, N-carboxy-, N,5-dibenzyl ester, L-
  • N-Carbobenzoxy-L-glutamic acid 5-benzyl ester
  • γ-Benzyl N-(benzyloxycarbonyl)-L-glutamate
  • Carbobenzoxy-L-glutamic acid γ-benzyl ester
  • N-Carbobenzyloxy-L-glutamic acid γ-benzyl ester
  • N-(Benzyloxycarbonyl)-L-glutamic acid γ-benzyl ester
  • N-Carbobenzoxy-L-glutamic acid γ-benzyl ester
  • NSC 169178
  • (2S)-5-Oxo-5-phenylmethoxy-2-(phenylmethoxycarbonylamino)pentanoic acid

Work with 5-(Phenylmethyl) hydrogen N-[(phenylmethoxy)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-(Benzyloxycarbonyl)-L-glutamic acid1155-62-080 % similar 4-(Phenylmethyl) hydrogen N-[(phenylmethoxy)carbonyl]-L-aspartate3479-47-880 % similar 5-(Phenylmethyl) hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate13574-13-578 % similar 5-(1,1-Dimethylethyl) hydrogen N-[(phenylmethoxy)carbonyl]-L-glutamate3886-08-678 % similar N2-[(Phenylmethoxy)carbonyl]-L-glutamine2650-64-877 % similar 5-(Phenylmethyl) hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutamate123639-61-276 % similar N-[(Phenylmethoxy)carbonyl]norvaline21691-43-074 % similar N-[(Phenylmethoxy)carbonyl]-L-norvaline21691-44-174 % similar

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

Same formula

5-(Phenylmethyl) hydrogen N-[(phenylmethoxy)carbonyl]-D-glutamate59486-73-6

Elsewhere

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