DDE

{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-TRIMETHYL-AMMONIUM

Created:	2004-07-29
Last modified:	2024-09-27

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50 entries where DDE is found in a polymer sequence

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Chemical Details
Formal Charge	1
Atom Count	45
Chiral Atom Count	2
Bond Count	45
Aromatic Bond Count	5

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Chemical Component Summary
Name	{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-TRIMETHYL-AMMONIUM
Synonyms	DIPHTHAMIDE; 2-(3-CARBOXYAMIDO-3-(TRIMETHYLAMMONIO)PROPYL)HISTIDINE
Systematic Name (OpenEye OEToolkits)	[(2R)-1-amino-4-[4-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]-1H-imidazol-2-yl]-1-oxo-butan-2-yl]-trimethyl-azanium
Formula	C₁₃ H₂₄ N₅ O₃
Molecular Weight	298.361
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(N)Cc1nc(nc1)CCC(C(=O)N)[N+](C)(C)C
SMILES	CACTVS	3.341	C[N+](C)(C)[CH](CCc1[nH]cc(C[CH](N)C(O)=O)n1)C(N)=O
SMILES	OpenEye OEToolkits	1.5.0	C[N+](C)(C)C(CCc1[nH]cc(n1)CC(C(=O)O)N)C(=O)N
Canonical SMILES	CACTVS	3.341	C[N+](C)(C)[C@H](CCc1[nH]cc(C[C@H](N)C(O)=O)n1)C(N)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[N+](C)(C)[C@H](CCc1[nH]cc(n1)C[C@@H](C(=O)O)N)C(=O)N
InChI	InChI	1.03	InChI=1S/C13H23N5O3/c1-18(2,3)10(12(15)19)4-5-11-16-7-8(17-11)6-9(14)13(20)21/h7,9-10H,4-6,14H2,1-3H3,(H3-,15,16,17,19,20,21)/p+1/t9-,10+/m0/s1
InChIKey	InChI	1.03	FOOBQHKMWYGHCE-VHSXEESVSA-O

Drug Info: DrugBank

DrugBank ID	DB03223
Name	Diphthamide
Groups	experimental
Synonyms	2-(3-Carboxyamido-3-(Trimethylammonio)Propyl)Histidine Diphthamide
Categories	Amino Acids Amino Acids, Cyclic Amino Acids, Peptides, and Proteins
CAS number	75645-22-6

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Elongation factor 2	MVNFTVDQIRAIMDKKANIRNMSVIAHVDHGKSTLTDSLVCKAGIIASAR...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682