PRD_002275

cR8 peptide from NOS2

PRD_002275 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 5XN3.

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Chemical Component Summary

NamecR8 peptide from NOS2
Identifiers[azanyl-[3-[(2~{S},8~{S},11~{S},14~{S},17~{S},20~{S},23~{S})-14,17,20-tris(2-azanyl-2-oxidanylidene-ethyl)-11-[(2~{S})-butan-2-yl]-8-(2-hydroxy-2-oxoethyl)-3,6,9,12,15,18,21,24-octakis(oxidanylidene)-23-propan-2-yl-1,4,7,10,13,16,19,22-octazacyclotetracos-2-yl]propylamino]methylidene]azanium
FormulaC35 H59 N14 O13
Molecular Weight883.929
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)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1)CC(=O)O)CCCNC(=[NH2+])N)C(C)C)CC(=O)N)CC(=O)N)CC(=O)N
InChIInChI=1S/C35H58N14O13/c1-5-15(4)27-34(62)47-18(10-22(37)51)30(58)45-17(9-21(36)50)29(57)46-19(11-23(38)52)31(59)48-26(14(2)3)33(61)44-16(7-6-8-41-35(39)40)28(56)42-13-24(53)43-20(12-25(54)55)32(60)49-27/h14-20,26-27H,5-13H2,1-4H3,(H2,36,50)(H2,37,51)(H2,38,52)(H,42,56)(H,43,53)(H,44,61)(H,45,58)(H,46,57)(H,47,62)(H,48,59)(H,49,60)(H,54,55)(H4,39,40,41)/p+1/t15-,16-,17-,18-,19-,20-,26-,27-/m0/s1
InChIKeyJCIDYPJYIOJKQD-YMWZNYLUSA-O
CompositionPolymer Sequences: ARG-GLY-ASP-ILE-ASN-ASN-ASN-VAL
BIRD classINHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count121
Chiral Atom Count8
Bond Count121
Aromatic Bond Count0