Chemical Component Summary

NameCARFILZOMIB, bound form
SynonymsCARFILZOMIB, bound form
Identifiers(2S)-N-[(2S)-1-[[(2R,3S,4S)-2,6-dimethyl-1,3-bis(oxidanyl)heptan-4-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-4-methyl-2-[[(2S)-2-(2-morpholin-4-ylethanoylamino)-4-phenyl-butanoyl]amino]pentanamide
FormulaC40 H61 N5 O7
Molecular Weight723.942
TypePEPTIDE-LIKE
Isomeric SMILESC[C@H](CO)[C@@H]([C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc2ccccc2)NC(=O)CN3CCOCC3)O
InChIInChI=1S/C40H61N5O7/c1-27(2)22-33(37(48)29(5)26-46)42-40(51)35(24-31-14-10-7-11-15-31)44-39(50)34(23-28(3)4)43-38(49)32(17-16-30-12-8-6-9-13-30)41-36(47)25-45-18-20-52-21-19-45/h6-15,27-29,32-35,37,46,48H,16-26H2,1-5H3,(H,41,47)(H,42,51)(H,43,49)(H,44,50)/t29-,32+,33+,34+,35+,37+/m1/s1
InChIKeyCNNZTHKANUECTE-JMNVNGPASA-N
CompositionPolymer Sequences: 00E-HPE-LEU-PHE-05W
BIRD classINHIBITOR
Represented AsSINGLE MOLECULE
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count113
Chiral Atom Count6
Bond Count115
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 137348138