0EO/PRD_000265

(6R,7S,12R,13R,17R)-6-benzyl-12-(cyclohexylmethyl)-7,13-dihydroxy-2,2-dimethyl-17-(2-methylpropyl)- 4,10,15-trioxo-3-oxa-5,11,16-triazaoctadecan-18-oic acid

0EO/PRD_000265 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 1EED.

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Chemical Component Summary

Name(6R,7S,12R,13R,17R)-6-benzyl-12-(cyclohexylmethyl)-7,13-dihydroxy-2,2-dimethyl-17-(2-methylpropyl)- 4,10,15-trioxo-3-oxa-5,11,16-triazaoctadecan-18-oic acid
SynonymsPD125754
Identifiers(2S)-2-[[(3S,4S)-5-cyclohexyl-4-[[(4S,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanyl-6-phenyl-hexanoyl]amino]-3-oxidanyl-pentanoyl]amino]-4-methyl-pentanoic acid
FormulaC34 H55 N3 O8
Molecular Weight633.816
TypePEPTIDE-LIKE
Isomeric SMILESCC(C)C[C@@H](C(=O)O)NC(=O)C[C@@H]([C@H](CC1CCCCC1)NC(=O)CC[C@@H]([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)O)O
InChIInChI=1S/C34H55N3O8/c1-22(2)18-27(32(42)43)36-31(41)21-29(39)26(20-24-14-10-7-11-15-24)35-30(40)17-16-28(38)25(19-23-12-8-6-9-13-23)37-33(44)45-34(3,4)5/h6,8-9,12-13,22,24-29,38-39H,7,10-11,14-21H2,1-5H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43)/t25-,26-,27-,28-,29-/m0/s1
InChIKeyUYUPAZNZXXOTIF-ZIUUJSQJSA-N
CompositionPolymer Sequences: BOC-FOG-CHS-LEU
BIRD classINHIBITOR
Represented AsSINGLE MOLECULE
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count100
Chiral Atom Count5
Bond Count101
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 445325