PRD_002231

circular peptide inhibitor

PRD_002231 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 4ZJX.

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Chemical Component Summary

Namecircular peptide inhibitor
Identifiers[[3-[(4~{R},7~{S},10~{S},13~{S},16~{S},19~{S},24~{R})-7-(4-azaniumylbutyl)-19,24-bis(azanyl)-4-[[(2~{S})-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]-13-(1~{H}-indol-3-ylmethyl)-10-[(1~{R})-1-oxidanylethyl]-6,9,12,15,18,23-hexakis(oxidanylidene)-1,2-dithia-5,8,11,14,17,22-hexazacyclopentacos-16-yl]propylamino]-azanyl-methylidene]azanium
FormulaC43 H73 N15 O9 S2
Molecular Weight1,008.265
TypePEPTIDE-LIKE
Isomeric SMILESC[C@H]([C@H]1C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)NCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)Cc2c[nH]c3c2cccc3)CCCNC(=[NH2+])N)N)N)C(=O)N[C@@H](CC(C)C)C(=O)N)CCCC[NH3+])O
InChIInChI=1S/C43H71N15O9S2/c1-22(2)17-31(35(47)60)55-41(66)33-21-69-68-20-27(46)36(61)50-16-13-26(45)37(62)53-30(12-8-15-51-43(48)49)38(63)56-32(18-24-19-52-28-10-5-4-9-25(24)28)40(65)58-34(23(3)59)42(67)54-29(39(64)57-33)11-6-7-14-44/h4-5,9-10,19,22-23,26-27,29-34,52,59H,6-8,11-18,20-21,44-46H2,1-3H3,(H2,47,60)(H,50,61)(H,53,62)(H,54,67)(H,55,66)(H,56,63)(H,57,64)(H,58,65)(H4,48,49,51)/p+2/t23-,26+,27+,29+,30+,31+,32+,33+,34+/m1/s1
InChIKeyOWJAQFRIWOJWLL-RAGYCJPVSA-P
CompositionPolymer Sequences: CYS-DAB-ARG-TRP-THR-LYS-CYS-LEU-NH2
BIRD classINHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count142
Chiral Atom Count9
Bond Count144
Aromatic Bond Count10