PRD_002127

C6H5(CH2)8-derivatized peptide inhibitor

PRD_002127 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 4WHH.

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Chemical Component Summary

NameC6H5(CH2)8-derivatized peptide inhibitor
Identifiers[(2R,3S)-4-azanyl-3-[[(2S)-2-[[(2S)-2-[3-[[4-(hydroxymethyl)phenyl]carbonylamino]propanoylamino]-3-[3-(8-phenyloctyl)imidazol-4-yl]propanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-oxidanylidene-butan-2-yl] dihydrogen phosphate
FormulaC38 H54 N7 O11 P
Molecular Weight815.849
TypePEPTIDE-LIKE
Isomeric SMILESC[C@H]([C@@H](C(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cncn1CCCCCCCCc2ccccc2)NC(=O)CCNC(=O)c3ccc(cc3)CO)OP(=O)(O)O
InChIInChI=1S/C38H54N7O11P/c1-26(56-57(53,54)55)34(35(39)49)44-38(52)32(24-47)43-37(51)31(42-33(48)18-19-41-36(50)29-16-14-28(23-46)15-17-29)21-30-22-40-25-45(30)20-10-5-3-2-4-7-11-27-12-8-6-9-13-27/h6,8-9,12-17,22,25-26,31-32,34,46-47H,2-5,7,10-11,18-21,23-24H2,1H3,(H2,39,49)(H,41,50)(H,42,48)(H,43,51)(H,44,52)(H2,53,54,55)/t26-,31+,32+,34+/m1/s1
InChIKeyIZFPBVDUEIHWRA-MJQRXZELSA-N
CompositionPolymer Sequences: QAC-56A-SER-TPO-NH2
BIRD classENZYME INHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count111
Chiral Atom Count4
Bond Count113
Aromatic Bond Count17

Related Resource References

Resource NameReference
PubChem 86280460