PRD_000293

INHIBITOR AC-ESMD-CHO

PRD_000293 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 2QLB.

Find entries where PRD_000293 is present

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	INHIBITOR AC-ESMD-CHO
Identifiers	(4S)-4-acetamido-5-[[(2S)-1-[[(2S)-1-[[(2S)-1,4-bis(oxidanyl)-4-oxidanylidene-butan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
Formula	C₁₉ H₃₂ N₄ O₁₀ S
Molecular Weight	508.543
Type	PEPTIDE-LIKE
Isomeric SMILES	CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)CO
InChI	InChI=1S/C19H32N4O10S/c1-10(26)20-12(3-4-15(27)28)18(32)23-14(9-25)19(33)22-13(5-6-34-2)17(31)21-11(8-24)7-16(29)30/h11-14,24-25H,3-9H2,1-2H3,(H,20,26)(H,21,31)(H,22,33)(H,23,32)(H,27,28)(H,29,30)
InChIKey	OEYXBNAGDWPJAX-UHFFFAOYSA-N
Composition	Polymer Sequences: ACE-GLU-SER-MET-ASJ
BIRD class	INHIBITOR
Represented As	POLYMER
Compound Details	n/a
Description	n/a

Chemical Details
Formal Charge	0
Atom Count	66
Chiral Atom Count	4
Bond Count	65
Aromatic Bond Count	0

RCSB PDB Core Operations are funded by the National Science Foundation (DBI-1832184), 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.