AN-201 I

[5-[[6-[(6-acetamido-3-aminohexanoyl)amino]-3-aminohexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)-6-[(7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl)amino]oxan-3-yl] carbamate

Also Known As: Nbeta-Acetylstreptothricin E|An 201 I|AN-201 I|N-Beta-Acetylstreptothricin E|[5-[[6-[(6-acetamido-3-aminohexanoyl)amino]-3-aminohexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)-6-[(7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl)amino]oxan-3-yl] carbamate|2-[(6-{[6-(acetylamino)-3-aminohexanoyl]amino}-3-aminohexanoyl)amino]-4-o-carbamoyl-2-deoxy-n-(7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-1h-imidazo[4,5-c]pyridin-2-yl)hexopyranosylamine|2-{[3-Amino-6-({3-amino-1-hydroxy-6-[(1-hydroxyethylidene)amino]hexylidene}amino)-1-hydroxyhexylidene]amino}-2-deoxy-N-(4,7-dihydroxy-3a,6,7,7a-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-4-O-[hydroxy(imino)methyl]hexopyranosylamine|4H-Imidazo(4,5-c)pyridin-4-one, 2-((2-((6-((6-(acetylamino)-3-amino-1-oxohexyl)amino)-3-amino-1-oxohexyl)amino)-4-O-(aminocarbonyl)-2-deoxy-beta-D-gulopyranosyl)amino)-1,3a,5,6,7,7a-hexahydro-7-hydroxy-, (3aS-(2(R*(R*)),3aalpha,7alpha,7abeta))-

Molecular Formula	C27H48N10O10
Molecular Weight	672.35547 g/mol
LogP	-6.1
Topological Polar Surface Area	327.0 Ų
Hydrogen Bond Donors	12
Hydrogen Bond Acceptors	13
Rotatable Bonds	18
Exact Mass	672.35547
Monoisotopic Mass	672.35547
Heavy Atoms	47
Complexity	1150.0

Chemical Identifiers

CAS Number	5633-43-2
SMILES	CC(=O)NCCCC(CC(=O)NCCCC(CC(=O)NC1C(C(C(OC1NC2=NC3C(N2)C(CNC3=O)O)CO)OC(=O)N)O)N)N
InChIKey	JDQFOZPWCISXRD-UHFFFAOYSA-N