0F7/PRD_000271

CBZ-ILE-LEU-FKI, peptide inhibitor

Created:2008-12-08
Last modified:  2024-09-27

0F7/PRD_000271 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 1DY8.

Chemical Details

Formal Charge0
Atom Count72
Chiral Atom Count4
Bond Count72
Aromatic Bond Count6
2D diagram of 0F7
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Chemical Component Summary

NameCBZ-ILE-LEU-FKI, peptide inhibitor
Systematic Name (OpenEye OEToolkits)(3S)-5,5-difluoro-3-[[(2S)-4-methyl-2-[[(2S,3S)-3-methyl-2-phenylmethoxycarbonylamino-pentanoyl]amino]pentanoyl]amino]-2-oxo-pentanoic acid
FormulaC25 H35 F2 N3 O7
Molecular Weight527.558
TypePEPTIDE-LIKE

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(=O)C(NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)C(C)CC)CC(C)C)CC(F)F
SMILESCACTVS3.352CC[CH](C)[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](CC(C)C)C(=O)N[CH](CC(F)F)C(=O)C(O)=O
Canonical SMILESCACTVS3.352 CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(F)F)C(=O)C(O)=O
InChIInChI1.03 InChI=1S/C25H35F2N3O7/c1-5-15(4)20(30-25(36)37-13-16-9-7-6-8-10-16)23(33)29-18(11-14(2)3)22(32)28-17(12-19(26)27)21(31)24(34)35/h6-10,14-15,17-20H,5,11-13H2,1-4H3,(H,28,32)(H,29,33)(H,30,36)(H,34,35)/t15-,17-,18-,20-/m0/s1
InChIKeyInChI1.03 IXLOEMUNKMDCDV-CAIZAGQASA-N

Related Resource References

Resource NameReference
PubChem 487910
ChEMBL CHEMBL444346