PRD_000854

DB6 peptide

PRD_000854 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 3URL.

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Chemical Component Summary

NameDB6 peptide
Identifiers(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-imidazol-3-ium-4-yl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-imidazol-3-ium-4-yl)propanoyl]amino]-3-phenyl-propyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-butanoyl]pyrrolidine-2-carboxylic acid
FormulaC57 H77 N13 O11
Molecular Weight1,120.302
TypePEPTIDE-LIKE
Isomeric SMILESC[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC[C@H](Cc3ccccc3)NC(=O)[C@H](Cc4c[nH]c[nH+]4)NC(=O)[C@H](Cc5ccccc5)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc6c[nH]c[nH+]6)N)O
InChIInChI=1S/C57H75N13O11/c1-34(2)22-44(65-55(78)47(31-71)68-50(73)42(58)26-39-28-59-32-62-39)53(76)66-45(25-38-18-11-6-12-19-38)54(77)67-46(27-40-29-60-33-63-40)52(75)64-41(23-36-14-7-4-8-15-36)30-61-43(24-37-16-9-5-10-17-37)51(74)69-49(35(3)72)56(79)70-21-13-20-48(70)57(80)81/h4-12,14-19,28-29,32-35,41-49,61,71-72H,13,20-27,30-31,58H2,1-3H3,(H,59,62)(H,60,63)(H,64,75)(H,65,78)(H,66,76)(H,67,77)(H,68,73)(H,69,74)(H,80,81)/p+2
InChIKeyVFAWUWUSVSPPEO-UHFFFAOYSA-P
CompositionPolymer Sequences: HIS-SER-LEU-PHE-HIS-PUK-THR-PRO
BIRD classENZYME INHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count158
Chiral Atom Count10
Bond Count163
Aromatic Bond Count28