PRD_000284

AC-DQMD-CHO

PRD_000284 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 2QL9.

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Chemical Component Summary
Name	AC-DQMD-CHO
Identifiers	(3S)-3-acetamido-4-[[(2S)-5-azanyl-1-[[(2S)-1-[[(2S)-1,4-bis(oxidanyl)-4-oxidanylidene-butan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-4-oxidanylidene-butanoic acid
Formula	C₂₀ H₃₃ N₅ O₁₀ S
Molecular Weight	535.569
Type	PEPTIDE-LIKE
Isomeric SMILES	CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)CO
InChI	InChI=1S/C20H33N5O10S/c1-10(27)22-14(8-17(31)32)20(35)24-12(3-4-15(21)28)19(34)25-13(5-6-36-2)18(33)23-11(9-26)7-16(29)30/h11-14,26H,3-9H2,1-2H3,(H2,21,28)(H,22,27)(H,23,33)(H,24,35)(H,25,34)(H,29,30)(H,31,32)
InChIKey	SSGFDLOGZRPOBX-UHFFFAOYSA-N
Composition	Polymer Sequences: ACE-ASP-GLN-MET-ASJ
BIRD class	INHIBITOR
Represented As	POLYMER
Compound Details	n/a
Description	n/a

Chemical Details
Formal Charge	0
Atom Count	69
Chiral Atom Count	4
Bond Count	68
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.