PRD_001256

bifunctional peptide

PRD_001256 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 4RWA.

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Chemical Component Summary

Namebifunctional peptide
Identifiers(3S)-2-[(2S)-2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]-N-[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
FormulaC39 H43 N5 O5
Molecular Weight661.789
TypePEPTIDE-LIKE
Isomeric SMILESCc1cc(cc(c1C[C@@H](C(=O)N2Cc3ccccc3C[C@H]2C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](Cc5ccccc5)C(=O)N)N)C)O
InChIInChI=1S/C39H43N5O5/c1-24-17-30(45)18-25(2)31(24)22-32(40)39(49)44-23-29-16-10-9-15-28(29)21-35(44)38(48)43-34(20-27-13-7-4-8-14-27)37(47)42-33(36(41)46)19-26-11-5-3-6-12-26/h3-18,32-35,45H,19-23,40H2,1-2H3,(H2,41,46)(H,42,47)(H,43,48)
InChIKeyKYXSQGDWDGTJNF-UHFFFAOYSA-N
CompositionPolymer Sequences: DI7-DI8-PHE-PHE-NH2
BIRD classUNKNOWN
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count92
Chiral Atom Count4
Bond Count96
Aromatic Bond Count24

Related Resource References

Resource NameReference
PubChem 45272750
ChEMBL CHEMBL538700