chempirical

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

C17H23NO6CAS 13574-13-5337.37 g/mol

Open in Covalent MOL file
OONHOOOHO
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
13574-13-5
SMILES
CC(C)(C)OC(O)=N[C@@H](CCC(=O)OCc1ccccc1)C(=O)O
InChIKey
AJDUMMXHVCMISJ-ZDUSSCGKSA-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-/m0/s1

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

Names and synonyms

11 names
  • L-Glutamic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 5-(phenylmethyl) ester
  • Glutamic acid, N-carboxy-, 5-benzyl N-tert-butyl ester, L-
  • N-tert-Butoxycarbonyl-γ-benzyl-L-glutamic acid
  • Nα-tert-Butoxycarbonyl-γ-benzyl-L-glutamic acid
  • N-tert-Butyloxycarbonyl-L-glutamic acid γ-benzyl ester
  • N-(tert-Butoxycarbonyl)-L-glutamic acid γ-benzyl ester
  • N-tert-Butoxycarbonyl-L-glutamic acid 5-benzyl ester
  • γ-Benzyl N-(tert-butoxycarbonyl)glutamate
  • (2S)-5-(Benzyloxy)-2-[(tert-butoxycarbonyl)amino]-5-oxopentanoic acid
  • (2S)-5-Benzyloxy-2-(tert-butoxycarbonylamino)-5-oxopentanoic acid
  • (S)-5-(Benzyloxy)-2-(tert-butoxycarbonylamino)-5-oxopentanoic acid

Work with 5-(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-L-aspartic acid β-benzyl ester7536-58-582 % similar 5-(Phenylmethyl) hydrogen N-[(phenylmethoxy)carbonyl]-L-glutamate5680-86-478 % similar 5-(Phenylmethyl) hydrogen N-[(phenylmethoxy)carbonyl]-D-glutamate59486-73-678 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-N5-[(phenylmethoxy)carbonyl]-D-ornithine16937-92-176 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-N6-[(phenylmethoxy)carbonyl]-L-lysine2389-45-975 % similar 4-(1,1-Dimethylethyl) hydrogen N-[(phenylmethoxy)carbonyl]-L-aspartate5545-52-872 % similar N-tert-Butoxycarbonyl-O-benzylserine23680-31-170 % similar N6-[(1,1-Dimethylethoxy)carbonyl]-N2-[(phenylmethoxy)carbonyl]-L-lysine2389-60-869 % similar

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

Same formula

1-(Phenylmethyl) hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate30924-93-7 5-(1,1-Dimethylethyl) hydrogen N-[(phenylmethoxy)carbonyl]-L-glutamate3886-08-6

Elsewhere

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