PRD_001254

PL-2

PRD_001254 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 4RCP.

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Chemical Component Summary

NamePL-2
Identifiers[(2R,3S)-3-[[(2S)-2-[[(2S)-2-acetamido-3-[3-(8-phenyloctyl)imidazol-4-yl]propanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-azanyl-4-oxidanylidene-butan-2-yl] dihydrogen phosphate
FormulaC29 H45 N6 O9 P
Molecular Weight652.676
TypePEPTIDE-LIKE
Isomeric SMILESC[C@H]([C@@H](C(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cncn1CCCCCCCCc2ccccc2)NC(=O)C)OP(=O)(O)O
InChIInChI=1S/C29H45N6O9P/c1-20(44-45(41,42)43)26(27(30)38)34-29(40)25(18-36)33-28(39)24(32-21(2)37)16-23-17-31-19-35(23)15-11-6-4-3-5-8-12-22-13-9-7-10-14-22/h7,9-10,13-14,17,19-20,24-26,36H,3-6,8,11-12,15-16,18H2,1-2H3,(H2,30,38)(H,32,37)(H,33,39)(H,34,40)(H2,41,42,43)/t20-,24+,25?,26?/m1/s1
InChIKeyRLKOZTUQTILVBD-XKJCMPGVSA-N
CompositionPolymer Sequences: ACE-56A-SER-TPO-NH2
BIRD classINHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count90
Chiral Atom Count4
Bond Count91
Aromatic Bond Count11

Related Resource References

Resource NameReference
PubChem 71468090
ChEMBL CHEMBL4285090