chempirical

Sephadex G 50

C29H28N2O4SCAS 9048-71-9500.61 g/mol

Open in Covalent MOL file
NSOOHNHOO
CarbamateCarboxylic acid

Properties

Molecular formula
C29H28N2O4S
Molar mass
500.61 g/mol
Exact mass
500.1770 Da
logP
6.13Crippen estimate
Polar surface area
88.5 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
9048-71-9
SMILES
CC(C)(C)C1=CC2=C(C=C1)N=C(S2)CC(C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChIKey
HPAPUVLGQATAGV-UHFFFAOYSA-N
InChI
InChI=1S/C29H28N2O4S/c1-29(2,3)17-12-13-23-25(14-17)36-26(30-23)15-24(27(32)33)31-28(34)35-16-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22/h4-14,22,24H,15-16H2,1-3H3,(H,31,34)(H,32,33)

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Names and synonyms

2 names
  • G 50
  • 3-(6-tert-Butyl-1,3-benzothiazol-2-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

Work with Sephadex G 50

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

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

Elsewhere

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