Raltegravir 3D structure

Raltegravir (also called raltegravirum, RLT) has the formula C20H21FN6O5 and a molar mass of 444.4 g/mol. The model above is PubChem's computed 3D conformer: drag to rotate, scroll to zoom, and use the measurement tools to read bond lengths and angles.

Formula
C20H21FN6O5
Molar mass
444.4 g/mol
PubChem CID
54671008
Heavy atoms
32
Category
Common drugs

Explore in 3D Space-filling model PubChem

Identifiers

IUPAC nameN-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
SMILESCC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)O)C(=O)NCC3=CC=C(C=C3)F
PubChem CID54671008
Other namesraltegravirum, RLT, hydropyrimidine-4-carboxamide, Raltegravir - Bio-X trade mark

How to read the 3D model

Atoms use the standard CPK colors: carbon gray, hydrogen white, oxygen red, nitrogen blue, sulfur yellow. Switch to Spacefill to see the molecule's overall shape and size, or Stick for a clear view of the bonds. Click two atoms in distance mode to measure a bond length in ångströms.

3D coordinates are PubChem's computed conformer, one low-energy shape of the molecule. Flexible molecules can take many other shapes.

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