PRD_000855

DB5 peptide

PRD_000855 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 3URI.

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Chemical Component Summary

NameDB5 peptide
Identifiers(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-azanyl-3-(1H-imidazol-3-ium-4-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-(1H-imidazol-3-ium-4-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-phenyl-propyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoyl]amino]-3-(1H-imidazol-3-ium-4-yl)propanoic acid
FormulaC49 H74 N15 O10 S
Molecular Weight1,065.271
TypePEPTIDE-LIKE
Isomeric SMILESC[C@@H](C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)O)NC(=O)[C@H](CCSC)NC[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3c[nH]c[nH+]3)NC(=O)[C@@H]4CCCN4C(=O)[C@H](Cc5c[nH]c[nH+]5)N
InChIInChI=1S/C49H71N15O10S/c1-28(2)15-37(60-45(69)38(18-32-21-52-26-56-32)61-47(71)41-11-8-13-64(41)48(72)35(50)17-31-20-51-25-55-31)44(68)63-40(24-65)46(70)59-34(16-30-9-6-5-7-10-30)23-54-36(12-14-75-4)43(67)58-29(3)42(66)62-39(49(73)74)19-33-22-53-27-57-33/h5-7,9-10,20-22,25-29,34-41,54,65H,8,11-19,23-24,50H2,1-4H3,(H,51,55)(H,52,56)(H,53,57)(H,58,67)(H,59,70)(H,60,69)(H,61,71)(H,62,66)(H,63,68)(H,73,74)/p+3/t29-,34+,35?,36-,37+,38-,39-,40-,41+/m0/s1
InChIKeyJMGUQCBSQWSGNX-SMKWUFGISA-Q
CompositionPolymer Sequences: HIS-PRO-HIS-LEU-SER-13E-ALA-HIS
BIRD classENZYME INHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count149
Chiral Atom Count9
Bond Count153
Aromatic Bond Count21