PRD_000431

The representative PDB ID is 2H5J.

Chemical Component Summary
Name	CASPASE-7 INHIBITOR AC-DMQD-CHO
Identifiers	(3S)-3-acetamido-4-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S)-1,4-bis(oxidanyl)-4-oxidanylidene-butan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-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](CCSC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)CO
InChI	InChI=1S/C20H33N5O10S/c1-10(27)22-14(8-17(31)32)20(35)25-13(5-6-36-2)19(34)24-12(3-4-15(21)28)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,24,34)(H,25,35)(H,29,30)(H,31,32)/t11-,12+,13?,14?/m1/s1
InChIKey	SQVILVRSJQSDOT-KBHBFKLGSA-N
Composition	Polymer Sequences: ACE-ASP-MET-GLN-ASJ
BIRD class	INHIBITOR
Represented As	POLYMER
Compound Details	n/a
Description	n/a

Resource Name	Reference
PubChem	23586173