PRD_002118

C6H5(CH2)8-derivatized peptide inhibitor

PRD_002118 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 4WHK.

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Chemical Component Summary
Name	C6H5(CH2)8-derivatized peptide inhibitor
Identifiers	[(2R,3S)-4-azanyl-4-oxidanylidene-3-[[(2S)-3-oxidanyl-2-[[(2S)-2-[[(Z)-6-oxidanylidene-6-phenyl-hex-4-enoyl]amino]-3-[3-(8-phenyloctyl)imidazol-4-yl]propanoyl]amino]propanoyl]amino]butan-2-yl] dihydrogen phosphate
Formula	C₃₉ H₅₃ N₆ O₁₀ P
Molecular Weight	796.846
Type	PEPTIDE-LIKE
Isomeric SMILES	C[C@H]([C@@H](C(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cncn1CCCCCCCCc2ccccc2)NC(=O)CC/C=C\C(=O)c3ccccc3)OP(=O)(O)O
InChI	InChI=1S/C39H53N6O10P/c1-28(55-56(52,53)54)36(37(40)49)44-39(51)33(26-46)43-38(50)32(42-35(48)22-14-13-21-34(47)30-19-11-7-12-20-30)24-31-25-41-27-45(31)23-15-5-3-2-4-8-16-29-17-9-6-10-18-29/h6-7,9-13,17-21,25,27-28,32-33,36,46H,2-5,8,14-16,22-24,26H2,1H3,(H2,40,49)(H,42,48)(H,43,50)(H,44,51)(H2,52,53,54)/b21-13-/t28-,32+,33+,36+/m1/s1
InChIKey	HVPYIRVQQSUGDR-VGVGZELKSA-N
Composition	Polymer Sequences: YAC-56A-SER-TPO-NH2
BIRD class	ENZYME INHIBITOR
Represented As	POLYMER
Compound Details	n/a
Description	n/a

Chemical Details
Formal Charge	0
Atom Count	109
Chiral Atom Count	4
Bond Count	111
Aromatic Bond Count	17

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM133198.