SV6/PRD_002448

TELAPREVIR, bound form

SV6/PRD_002448 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 3SV6.

Find entries where PRD_002448 is present


Toggle HydrogenToggle Labels

Chemical Component Summary

NameTELAPREVIR, bound form
SynonymsTELAPREVIR, bound form
Identifiers(3S,3aS,6aR)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazin-2-ylcarbonylamino)ethanoyl]amino]-3,3-dimethyl-butanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-oxidanyl-1-oxidanylidene-hexan-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
FormulaC36 H55 N7 O6
Molecular Weight681.865
TypePEPTIDE-LIKE
Isomeric SMILESCCC[C@@H]([C@H](C(=O)NC1CC1)O)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C4CCCCC4)NC(=O)c5cnccn5
InChIInChI=1S/C36H55N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-30,44H,5-16,20H2,1-4H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t22-,24-,25-,27-,28-,29+,30+/m0/s1
InChIKeyFTZGWEAUHOMNIG-FJRGXGLZSA-N
CompositionPolymer Sequences: VGL-CHG-TBG-037-03A
BIRD classANTIVIRAL
Represented AsSINGLE MOLECULE
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count104
Chiral Atom Count7
Bond Count108
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 59235547