PRD_000827

SHKIDNLD peptide

PRD_000827 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 3AVN.

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Chemical Component Summary

NameSHKIDNLD peptide
Identifiers4-[(2S,5S,8S,11S,14S,17S,20S,23S)-11-(2-azanyl-2-oxidanylidene-ethyl)-5-[(2S)-butan-2-yl]-20-(hydroxymethyl)-8,17-bis(2-hydroxy-2-oxoethyl)-23-(1H-imidazol-3-ium-4-ylmethyl)-14-(2-methylpropyl)-3,6,9,12,15,18,21,24-octakis(oxidanylidene)-1,4,7,10,13,16,19,22-octazacyclotetracos-2-yl]butylazanium
FormulaC39 H64 N12 O14
Molecular Weight924.997
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)N[C@H](C(=O)N[C@H](C(=O)N1)CCCC[NH3+])Cc2c[nH]c[nH+]2)CO)CC(=O)O)CC(C)C)CC(=O)N)CC(=O)O
InChIInChI=1S/C39H62N12O14/c1-5-19(4)31-39(65)49-26(14-30(56)57)36(62)47-24(12-28(41)53)35(61)45-22(10-18(2)3)33(59)48-25(13-29(54)55)37(63)50-27(16-52)38(64)46-23(11-20-15-42-17-43-20)34(60)44-21(32(58)51-31)8-6-7-9-40/h15,17-19,21-27,31,52H,5-14,16,40H2,1-4H3,(H2,41,53)(H,42,43)(H,44,60)(H,45,61)(H,46,64)(H,47,62)(H,48,59)(H,49,65)(H,50,63)(H,51,58)(H,54,55)(H,56,57)/p+2/t19-,21?,22?,23?,24?,25?,26?,27?,31-/m0/s1
InChIKeyMWOUACPZDIIFQZ-SGTVBPSXSA-P
CompositionPolymer Sequences: SER-HIS-LYS-ILE-ASP-ASN-LEU-ASP
BIRD classENZYME INHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count129
Chiral Atom Count9
Bond Count130
Aromatic Bond Count5