PRD_002314

INNN(ABU) Cyclic peptide inhibitor

PRD_002314 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 6DN6.

Find entries where PRD_002314 is present

Toggle HydrogenToggle Labels

Chemical Component Summary

NameINNN(ABU) Cyclic peptide inhibitor
Identifiers2-[(3~{S},6~{S},9~{S},12~{S})-6,9-bis(2-azanyl-2-oxidanylidene-ethyl)-12-[(2~{S})-butan-2-yl]-2,5,8,11,14-pentakis(oxidanylidene)-1,4,7,10,13-pentazacycloheptadec-3-yl]ethanamide
FormulaC22 H36 N8 O8
Molecular Weight540.57
TypePEPTIDE-LIKE
Isomeric SMILESCC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCCCC(=O)N1)CC(=O)N)CC(=O)N)CC(=O)N
InChIInChI=1S/C22H36N8O8/c1-3-10(2)18-22(38)29-13(9-16(25)33)21(37)28-12(8-15(24)32)20(36)27-11(7-14(23)31)19(35)26-6-4-5-17(34)30-18/h10-13,18H,3-9H2,1-2H3,(H2,23,31)(H2,24,32)(H2,25,33)(H,26,35)(H,27,36)(H,28,37)(H,29,38)(H,30,34)/t10-,11-,12-,13-,18-/m0/s1
InChIKeyKIMFPUHREMFMIV-GKOAFATMSA-N
CompositionPolymer Sequences: ILE-ASN-ASN-ASN-ABU
BIRD classINHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count74
Chiral Atom Count5
Bond Count74
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 137796758