PRD_000401

PEPTIDOMIMETIC INHIBITOR KI2-PHE-GLU-GLU-NH2

PRD_000401 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 1NH0.

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Chemical Component Summary

NamePEPTIDOMIMETIC INHIBITOR KI2-PHE-GLU-GLU-NH2
Identifiers(4S)-5-azanyl-5-oxidanylidene-4-[[(2S)-5-oxidanyl-5-oxidanylidene-2-[[(2S)-2-[[(2R,3S)-2-oxidanyl-4-phenyl-3-(phenylmethoxycarbonylamino)butanoyl]amino]-3-phenyl-propanoyl]amino]pentanoyl]amino]pentanoic acid
FormulaC37 H43 N5 O11
Molecular Weight733.764
TypePEPTIDE-LIKE
Isomeric SMILESc1ccc(cc1)C[C@@H]([C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N)O)NC(=O)OCc3ccccc3
InChIInChI=1S/C37H43N5O11/c38-33(48)26(16-18-30(43)44)39-34(49)27(17-19-31(45)46)40-35(50)29(21-24-12-6-2-7-13-24)41-36(51)32(47)28(20-23-10-4-1-5-11-23)42-37(52)53-22-25-14-8-3-9-15-25/h1-15,26-29,32,47H,16-22H2,(H2,38,48)(H,39,49)(H,40,50)(H,41,51)(H,42,52)(H,43,44)(H,45,46)
InChIKeyVXCNHQRMEWBANV-UHFFFAOYSA-N
CompositionPolymer Sequences: KI2-PHE-GLU-GLU-NH2
BIRD classINHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count96
Chiral Atom Count5
Bond Count98
Aromatic Bond Count18

Related Resource References

Resource NameReference
PubChem 447366
ChEMBL CHEMBL264763