Chemical Component Summary

Name(6D6)PPKRIA(NH2), DC100-1
Identifiers[[[(4~{S})-4-[[(2~{S})-2-[[(2~{S})-1-[(2~{S})-1-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[(3~{S})-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]amino]propyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]-6-azaniumyl-hexanoyl]amino]-5-[[(2~{S},3~{S})-1-[[(2~{S})-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentyl]amino]-azanyl-methylidene]azanium
FormulaC48 H84 N18 O11
Molecular Weight1,089.295
TypePEPTIDE-LIKE
Isomeric SMILESCC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N)NC(=O)[C@H](CCCNC(=[NH2+])N)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CCCN2CCCN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O
InChIInChI=1S/C48H82N18O11/c1-4-26(2)34(44(73)59-27(3)39(52)69)62-42(71)30(12-7-17-55-48(53)54)60-41(70)29(11-5-6-16-49)61-43(72)31-13-9-21-65(31)45(74)32-14-8-19-64(32)20-10-18-63(22-15-28(50)47(75)76)23-33-36(67)37(68)46(77-33)66-25-58-35-38(51)56-24-57-40(35)66/h24-34,36-37,46,67-68H,4-23,49-50H2,1-3H3,(H2,52,69)(H,59,73)(H,60,70)(H,61,72)(H,62,71)(H,75,76)(H2,51,56,57)(H4,53,54,55)/p+2/t26-,27-,28-,29-,30-,31-,32-,33+,34-,36+,37+,46+/m0/s1
InChIKeySRDZGAINBRYGQH-VZMVMXEKSA-P
CompositionPolymer Sequences: 6D6-PRO-PRO-LYS-ARG-ILE-ALA-NH2
BIRD classINHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count161
Chiral Atom Count12
Bond Count165
Aromatic Bond Count10

Related Resource References

Resource NameReference
PubChem 137628301