G28

5-N-acetyl-4-amino-6-diethyl carboxamide-4,5-dihydro-2H-pyran-2-carboxylic acid

Created:	1999-07-08
Last modified:	2020-07-17

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2 entries where G28 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	3
Bond Count	42
Aromatic Bond Count	0

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Chemical Component Summary
Name	5-N-acetyl-4-amino-6-diethyl carboxamide-4,5-dihydro-2H-pyran-2-carboxylic acid
Synonyms	5-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID
Systematic Name (OpenEye OEToolkits)	(2~{R},3~{R},4~{S})-3-acetamido-4-azanyl-2-(diethylcarbamoyl)-3,4-dihydro-2~{H}-pyran-6-carboxylic acid
Formula	C₁₃ H₂₁ N₃ O₅
Molecular Weight	299.323
Type	L-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(O)(=O)C1=CC(C(NC(=O)C)C(O1)C(=O)N(CC)CC)N
SMILES	CACTVS	3.385	CCN(CC)C(=O)[CH]1OC(=C[CH](N)[CH]1NC(C)=O)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	CCN(CC)C(=O)C1C(C(C=C(O1)C(=O)O)N)NC(=O)C
Canonical SMILES	CACTVS	3.385	CCN(CC)C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCN(CC)C(=O)[C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)N)NC(=O)C
InChI	InChI	1.03	InChI=1S/C13H21N3O5/c1-4-16(5-2)12(18)11-10(15-7(3)17)8(14)6-9(21-11)13(19)20/h6,8,10-11H,4-5,14H2,1-3H3,(H,15,17)(H,19,20)/t8-,10+,11+/m0/s1
InChIKey	InChI	1.03	YQUCNOUQEZHVSC-JMJZKYOTSA-N

Drug Info: DrugBank

DrugBank ID	DB02529
Name	(2R,4S,5R,6R)-5-Acetamido-4-amino-6-(diethylcarbamoyl)oxane-2-carboxylic acid
Groups	experimental
Synonyms	(2R,4S,5R,6R)-5-Acetamido-4-amino-6-(diethylcarbamoyl)oxane-2-carboxylic acid

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Neuraminidase	MNPNQKILCTSATALVIGTIAVLIGITNLGLNIGLHLKPSCNCSHSQPEA...	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