PRD_000267

H-261 Oligopeptide

PRD_000267 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 2ER7.

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Chemical Component Summary

NameH-261 Oligopeptide
Identifiers(2S)-3-(1H-imidazol-3-ium-4-yl)-2-[[(2S,3S)-2-[[(2S,4S,5S)-5-[[(2S)-3-(1H-imidazol-3-ium-4-yl)-2-[[(2S)-2-[[(2S)-1-[(2S)-3-(1H-imidazol-3-ium-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]propanoyl]amino]-7-methyl-4-oxidanyl-2-propan-2-yl-octanoyl]amino]-3-methyl-pentanoyl]amino]propanoic acid
FormulaC55 H84 N13 O11
Molecular Weight1,103.336
TypePEPTIDE-LIKE
Isomeric SMILESCC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)O)NC(=O)[C@@H](C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]4CCCN4C(=O)[C@H](Cc5c[nH]c[nH+]5)NC(=O)OC(C)(C)C)O)C(C)C
InChIInChI=1S/C55H81N13O11/c1-10-33(6)46(51(74)65-43(53(76)77)23-37-27-58-30-61-37)67-47(70)38(32(4)5)24-45(69)39(19-31(2)3)62-49(72)41(21-35-25-56-28-59-35)63-48(71)40(20-34-15-12-11-13-16-34)64-50(73)44-17-14-18-68(44)52(75)42(22-36-26-57-29-60-36)66-54(78)79-55(7,8)9/h11-13,15-16,25-33,38-46,69H,10,14,17-24H2,1-9H3,(H,56,59)(H,57,60)(H,58,61)(H,62,72)(H,63,71)(H,64,73)(H,65,74)(H,66,78)(H,67,70)(H,76,77)/p+3/t33-,38-,39+,40+,41-,42+,43-,44-,45+,46?/m0/s1
InChIKeyXZAZZMPUCLUZOP-QDWNMMFASA-Q
CompositionPolymer Sequences: BOC-HIS-PRO-PHE-HIS-LOV-ILE-HIS
BIRD classINHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count163
Chiral Atom Count10
Bond Count167
Aromatic Bond Count21