chempirical

1-(2-Propen-1-yl) hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutamate

C23H23NO6CAS 144120-54-7409.44 g/mol

Open in Covalent MOL file
OOOOHNHOO
AlkeneCarboxylic acidEster

Properties

Molecular formula
C23H23NO6
Molar mass
409.44 g/mol
Exact mass
409.1525 Da
Melting point
118–119 °C
logP
3.69Crippen estimate
Polar surface area
105.4 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
9
Stereocentres
Sin SMILES atom order

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
144120-54-7
SMILES
C=CCOC(=O)[C@H](CCC(=O)O)N=C(O)OCC1c2ccccc2-c2ccccc21
InChIKey
ORKKMGRINLTBPC-FQEVSTJZSA-N
InChI
InChI=1S/C23H23NO6/c1-2-13-29-22(27)20(11-12-21(25)26)24-23(28)30-14-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h2-10,19-20H,1,11-14H2,(H,24,28)(H,25,26)/t20-/m0/s1

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Names and synonyms

4 names
  • L-Glutamic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 1-(2-propen-1-yl) ester
  • L-Glutamic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 1-(2-propenyl) ester
  • (4S)-4-(9H-Fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-prop-2-enoxypentanoic acid
  • N-Alpha-(9-Fluorenylmethyloxycarbonyl)-L-glutamic-acid-alpha allyl ester

Work with 1-(2-Propen-1-yl) 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

N2-((9H-Fluoren-9-ylmethoxy)carbonyl)-N6-((2-propen-1-yloxy)carbonyl)-D-lysine214750-75-164 % similar (3S)-3-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-5-hexenoic acid270263-04-262 % similar Fmoc-asp-oall144120-53-659 % similar Fmoc-gly-OH29022-11-556 % similar N2-[(9H-Fluoren-9-ylmethoxy)carbonyl]-D-glutamine112898-00-755 % similar N2-((9H-Fluoren-9-ylmethoxy)carbonyl)-L-glutamine71989-20-355 % similar N-((9H-Fluoren-9-ylmethoxy)carbonyl)-L-serine phenylmethyl ester73724-46-655 % similar 1-(9H-Fluoren-9-ylmethyl) 5,8,11,14,17,20,23,26-octaoxa-2-azanonacosanedioate756526-02-054 % similar

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

Same formula

Fmoc-glu(oall)-oh133464-46-7 Acetylcorynoline18797-80-3

Elsewhere

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