0EK/PRD_000262

6-ammonio-N-{[(2R,3R)-3-{[N-(tert-butoxycarbonyl)-L-phenylalanyl-3-(1H-imidazol-3-ium-4-yl)-L-alanyl]amino}-4- cyclohexyl-2-hydroxybutyl](2-methylpropyl)carbamoyl}-L-norleucyl-L-phenylalanine

0EK/PRD_000262 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 5ER2.

Find entries where PRD_000262 is present


Toggle HydrogenToggle Labels

Chemical Component Summary

Name6-ammonio-N-{[(2R,3R)-3-{[N-(tert-butoxycarbonyl)-L-phenylalanyl-3-(1H-imidazol-3-ium-4-yl)-L-alanyl]amino}-4- cyclohexyl-2-hydroxybutyl](2-methylpropyl)carbamoyl}-L-norleucyl-L-phenylalanine
SynonymsCP-69,799
Identifiers[(5S)-5-[[[(2S,3S)-4-cyclohexyl-2-hydroxy-3-[[(2S)-3-(1H-imidazol-3-ium-4-yl)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]propanoyl]amino]butyl]-(2-methylpropyl)carbamoyl]amino]-6-[[(2S)-1-hydroxy-1-oxo-3-phenyl-propan-2-yl]amino]-6-oxo-hexyl]azanium
FormulaC50 H77 N9 O9
Molecular Weight948.201
TypePEPTIDE-LIKE
Isomeric SMILESn/a
InChIInChI=1S/C50H75N9O9/c1-33(2)30-59(48(66)57-38(23-15-16-24-51)44(61)56-42(47(64)65)27-36-21-13-8-14-22-36)31-43(60)39(25-34-17-9-6-10-18-34)54-46(63)41(28-37-29-52-32-53-37)55-45(62)40(26-35-19-11-7-12-20-35)58-49(67)68-50(3,4)5/h7-8,11-14,19-22,29,32-34,38-43,60H,6,9-10,15-18,23-28,30-31,51H2,1-5H3,(H,52,53)(H,54,63)(H,55,62)(H,56,61)(H,57,66)(H,58,67)(H,64,65)/p+2/t38-,39-,40-,41-,42-,43-/m0/s1
InChIKeyQBCYEBFUOBJJAC-KHVQSSSXSA-P
CompositionPolymer Sequences: BOC-PHE-HIS-AHS-LYS-PHE
BIRD classINHIBITOR
Represented AsSINGLE MOLECULE
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge2
Atom Count145
Chiral Atom Count6
Bond Count148
Aromatic Bond Count17

Related Resource References

Resource NameReference
PubChem 137347850