PRD_002126

C6H5(CH2)8-derivatized peptide inhibitor

PRD_002126 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 4WHL.

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Chemical Component Summary

NameC6H5(CH2)8-derivatized peptide inhibitor
Identifiers[(2S,3S)-4-azanyl-3-[[(2S)-2-[[(2S)-2-(4-benzamidobutanoylamino)-3-[3-(8-phenyloctyl)imidazol-4-yl]propanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-oxidanylidene-butan-2-yl] dihydrogen phosphate
FormulaC38 H54 N7 O10 P
Molecular Weight799.85
TypePEPTIDE-LIKE
Isomeric SMILESC[C@@H]([C@@H](C(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cncn1CCCCCCCCc2ccccc2)NC(=O)CCCNC(=O)c3ccccc3)OP(=O)(O)O
InChIInChI=1S/C38H54N7O10P/c1-27(55-56(52,53)54)34(35(39)48)44-38(51)32(25-46)43-37(50)31(42-33(47)20-14-21-41-36(49)29-18-11-7-12-19-29)23-30-24-40-26-45(30)22-13-5-3-2-4-8-15-28-16-9-6-10-17-28/h6-7,9-12,16-19,24,26-27,31-32,34,46H,2-5,8,13-15,20-23,25H2,1H3,(H2,39,48)(H,41,49)(H,42,47)(H,43,50)(H,44,51)(H2,52,53,54)/t27-,31-,32-,34-/m0/s1
InChIKeyUQJJCGDAGHSCPK-FSABZJPLSA-N
CompositionPolymer Sequences: KAC-56A-SER-TPO-NH2
BIRD classENZYME INHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count110
Chiral Atom Count4
Bond Count112
Aromatic Bond Count17

Related Resource References

Resource NameReference
PubChem 86280462