PRD_001173

Phosphothreonine ester-containing peptide

PRD_001173 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 4O6W.

Find entries where PRD_001173 is present

Toggle HydrogenToggle Labels

Chemical Component Summary

NamePhosphothreonine ester-containing peptide
Identifiers[(2R,3S)-4-azanyl-3-[[(2S)-2-[[(2S)-3-[1-[(3R)-3,4-bis(oxidanyl)butyl]-3-(8-phenyloctyl)imidazol-1-ium-4-yl]-2-[[(2S)-2-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]amino]propanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-oxidanylidene-butan-2-yl] dihydrogen phosphate
FormulaC44 H72 N8 O13 P
Molecular Weight952.062
TypePEPTIDE-LIKE
Isomeric SMILESC[C@H]([C@@H](C(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[n+](cn1CCCCCCCCc2ccccc2)CC[C@H](CO)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CCCN3C(=O)C)OP(=O)(O)O
InChIInChI=1S/C44H71N8O13P/c1-29(2)23-35(47-44(61)38-18-14-21-52(38)31(4)55)41(58)46-36(42(59)48-37(27-54)43(60)49-39(40(45)57)30(3)65-66(62,63)64)24-33-25-50(22-19-34(56)26-53)28-51(33)20-13-8-6-5-7-10-15-32-16-11-9-12-17-32/h9,11-12,16-17,25,28-30,34-39,53-54,56H,5-8,10,13-15,18-24,26-27H2,1-4H3,(H7-,45,46,47,48,49,57,58,59,60,61,62,63,64)/p+1/t30-,34?,35+,36+,37+,38-,39?/m1/s1
InChIKeyCTEKEBSPCSOQPR-SFDLNWDHSA-O
CompositionPolymer Sequences: ACE-PRO-LEU-2SO-SER-TPO-NH2
BIRD classENZYME INHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count138
Chiral Atom Count7
Bond Count140
Aromatic Bond Count11