PRD_000807

hydrocinnamoyl-derivatized PLHSpTA peptide

PRD_000807 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 4E67.

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Chemical Component Summary

Namehydrocinnamoyl-derivatized PLHSpTA peptide
Identifiers[(2R,3S)-4-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-imidazol-3-ium-4-yl)-2-[[(2S)-4-methyl-2-[[(2S)-1-(3-phenylpropanoyl)pyrrolidin-2-yl]carbonylamino]pentanoyl]amino]propanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-oxidanylidene-butan-2-yl] dihydrogen phosphate
FormulaC36 H55 N9 O12 P
Molecular Weight836.849
TypePEPTIDE-LIKE
Isomeric SMILESC[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)CCc3ccccc3)OP(=O)(O)O
InChIInChI=1S/C36H54N9O12P/c1-20(2)15-25(42-35(52)28-11-8-14-45(28)29(47)13-12-23-9-6-5-7-10-23)32(49)41-26(16-24-17-38-19-39-24)33(50)43-27(18-46)34(51)44-30(22(4)57-58(54,55)56)36(53)40-21(3)31(37)48/h5-7,9-10,17,19-22,25-28,30,46H,8,11-16,18H2,1-4H3,(H2,37,48)(H,38,39)(H,40,53)(H,41,49)(H,42,52)(H,43,50)(H,44,51)(H2,54,55,56)/p+1/t21-,22+,25+,26-,27-,28+,30+/m0/s1
InChIKeyHRXYPSYWHYHRGP-BWELTKAOSA-O
CompositionPolymer Sequences: HCI-PRO-LEU-HIS-SER-TPO-ALA-NH2
BIRD classENZYME INHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count113
Chiral Atom Count7
Bond Count115
Aromatic Bond Count11