chempirical

5-(1,1-Dimethylethyl) hydrogen N-[(phenylmethoxy)carbonyl]-L-glutamate

C17H23NO6CAS 3886-08-6337.37 g/mol

Open in Covalent MOL file
OONHOOOOH
Carboxylic acidEster

Properties

Molecular formula
C17H23NO6
Molar mass
337.37 g/mol
Exact mass
337.1525 Da
Melting point
81–85 °C
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
3886-08-6
SMILES
CC(C)(C)OC(=O)CC[C@H](N=C(O)OCc1ccccc1)C(=O)O
InChIKey
GLMODRZPPBZPPB-ZDUSSCGKSA-N
InChI
InChI=1S/C17H23NO6/c1-17(2,3)24-14(19)10-9-13(15(20)21)18-16(22)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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Names and synonyms

7 names
  • L-Glutamic acid, N-[(phenylmethoxy)carbonyl]-, 5-(1,1-dimethylethyl) ester
  • Glutamic acid, N-carboxy-, N-benzyl 5-tert-butyl ester, L-
  • (Benzyloxycarbonyl)-L-glutamic acid 5-tert-butyl ester
  • Nα-Benzyloxycarbonyl-γ-tert-butyl-L-glutamic acid
  • 4(S)-Carboxy-4-(N-(benzyloxycarbonyl)amino)butanoic acid tert-butyl ester
  • (2S)-2-[[(Benzyloxy)carbonyl]amino]-5-tert-butoxy-5-oxopentanoic acid
  • (2S)-5-[(2-Methylpropan-2-yl)oxy]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid

Work with 5-(1,1-Dimethylethyl) 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

4-(1,1-Dimethylethyl) hydrogen N-[(phenylmethoxy)carbonyl]-L-aspartate5545-52-882 % similar 5-(Phenylmethyl) hydrogen N-[(phenylmethoxy)carbonyl]-L-glutamate5680-86-478 % similar 5-(Phenylmethyl) hydrogen N-[(phenylmethoxy)carbonyl]-D-glutamate59486-73-678 % similar N-Carbobenzoxy-L-aspartic acid β-tert-butyl ester dicyclohexylamine salt (1:1)23632-70-474 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-N5-[(phenylmethoxy)carbonyl]-D-ornithine16937-92-173 % similar N-tert-Butoxycarbonyl-L-aspartic acid β-benzyl ester7536-58-572 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-N6-[(phenylmethoxy)carbonyl]-L-lysine2389-45-972 % similar N6-[(1,1-Dimethylethoxy)carbonyl]-N2-[(phenylmethoxy)carbonyl]-L-lysine2389-60-872 % 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 1-(Phenylmethyl) hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate30924-93-7

Elsewhere

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