chempirical

5-(Phenylmethyl) hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutamate

C27H25NO6CAS 123639-61-2459.50 g/mol

Open in Covalent MOL file
ONHOOOHOO
Carboxylic acidEster

Properties

Molecular formula
C27H25NO6
Molar mass
459.50 g/mol
Exact mass
459.1682 Da
logP
4.71Crippen estimate
Polar surface area
105.4 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
9
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
123639-61-2
SMILES
O=C(CC[C@H](N=C(O)OCC1c2ccccc2-c2ccccc21)C(=O)O)OCc1ccccc1
InChIKey
HJJURMMMGPQIQP-DEOSSOPVSA-N
InChI
InChI=1S/C27H25NO6/c29-25(33-16-18-8-2-1-3-9-18)15-14-24(26(30)31)28-27(32)34-17-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,23-24H,14-17H2,(H,28,32)(H,30,31)/t24-/m0/s1

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Names and synonyms

2 names
  • L-Glutamic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 5-(phenylmethyl) ester
  • (2S)-5-(Benzyloxy)-2-([[(9H-fluoren-9-yl)methoxy]carbonyl]amino)-5-oxopentanoic acid

Work with 5-(Phenylmethyl) hydrogen N-[(9H-fluoren-9-ylmethoxy)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-(Phenylmethyl) hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-aspartate150009-58-883 % similar (2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4-[[(phenylmethoxy)carbonyl]amino]butanoic acid252049-08-480 % similar 3-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-N-[(phenylmethoxy)carbonyl]-L-alanine142855-80-977 % similar 5-(Phenylmethyl) hydrogen N-[(phenylmethoxy)carbonyl]-L-glutamate5680-86-476 % similar 5-(Phenylmethyl) hydrogen N-[(phenylmethoxy)carbonyl]-D-glutamate59486-73-676 % similar 5-Methyl hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutamate145038-50-275 % similar Fmoc-L-phenylalanine35661-40-672 % similar N-(9-Fluorenylmethoxycarbonyl)-L-glutamic acid γ-tert-butyl ester71989-18-971 % similar

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

Same formula

Fmoc-glu-obzl122350-52-1

Elsewhere

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