Racemomycin E

[(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] carbamate

Also Known As: Racemomycin E|Streptothricin B|A 53930C|A 53930A|A-53930C|[(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] carbamate|4H-Imidazo(4,5-c)pyridin-4-one, 2-((4-O-(aminocarbonyl)-2-deoxy-2-((3,10,17,24,31,34-hexaamino-1,8,15,22,29-pentaoxo-7,14,21,28-tetraazatetratriacont-1-yl)amino)-beta-D-gulopyranosyl)amino)-1,3a,5,6,7,7a-hexahydro-7-hydroxy-, (3aS-(2(3R*,10R*,17R*,24R*,31R*),3aalpha,7alpha,7abeta))-|4H-Imidazo(4,5-c)pyridin-4-one, 2-((2-(3-amino-6-(3-amino-6-(3-amino-6-(3-amino-6-(3,6-diaminohexanamido)hexanamido)hexanamido)hexanamido)hexanamido)-2-deoxy-beta-D-gulopyranosyl)amino)-3,3a,5,6,7,7a-hexahydro-7-hydroxy-, 6'-carbamate|4H-Imidazo(4,5-c)pyridin-4-one, 2-((4-O-(aminocarbonyl)-2-deoxy-2-(((3S,10S,17S,24S,31S)-3,10,17,24,31,34-hexaamino-1,8,15,22,29-pentaoxo-7,14,21,28-tetraazatetratriacont-1-yl)amino)-beta-D-gulopyranosyl)amino)-1,3a,5,6,7,7a-hexahydro-7-hydroxy-, (3aS,7R,7aS)-|((2R,3R,4S,5R,6R)-6-(((3aS,7R,7aS)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo(4,5-c)pyridin-2-yl)amino)-5-(((3S)-3-amino-6-(((3S)-3-amino-6-(((3S)-3-amino-6-(((3S)-3-amino-6-(((3S)-3,6-diaminohexanoyl)amino)hexanoyl)amino)hexanoyl)amino)hexanoyl)amino)hexanoyl)amino)-4-hydroxy-2-(hydroxymethyl)oxan-3-yl) carbamate|(2R,3R,4S,5R,6R)-6-{[(3aS,7R,7aS)-7-hydroxy-4-oxo-1H,3aH,4H,5H,6H,7H,7aH-imidazo[4,5-c]pyridin-2-yl]amino}-5-[(3S)-3-amino-6-[(3S)-3-amino-6-[(3S)-3-amino-6-[(3S)-3-amino-6-[(3S)-3,6-diaminohexanamido]hexanamido]hexanamido]hexanamido]hexanamido]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl carbamate|(3aS)-2-[[4-O-(Aminocarbonyl)-2-[[(3S,10S,17S,24S,31S)-3,10,17,24,31,34-hexaamino-1,8,15,22,29-pentaoxo-7,14,21,28-tetraazatetratriacontan-1-yl]amino]-2-deoxy-beta-D-gulopyranosyl]amino]-1,3abeta,5,6,7,7aalpha-hexahydro-7beta-hydroxy-4H-imidazo[4,5-c]pyridin-4-one|(3aS,7R,7aS)-2-((4-O-(Aminocarbonyl)-2-deoxy-2-(((3S,10S,17S,24S,31S)-3,10,17,24,31,34-hexaamino-1,8,15,22,29-pentaoxo-7,14,21,28-tetraazatetratriacont-1-yl)amino)-beta-D-gulopyranosyl)amino)-3,3a,5,6,7,7a-hexahydro-7-hydroxy-4H-imidazo(4,5-c)pyridin-4-one

Molecular Formula	C43H82N16O12
Molecular Weight	1014.6298 g/mol
LogP	-9.1
Topological Polar Surface Area	489.0 Ų
Hydrogen Bond Donors	18
Hydrogen Bond Acceptors	19
Rotatable Bonds	35
Exact Mass	1014.6298
Monoisotopic Mass	1014.6298
Heavy Atoms	71
Complexity	1740.0

Chemical Identifiers

CAS Number	3484-68-2
SMILES	C1[C@H]([C@@H]2[C@@H](C(=O)N1)N=C(N2)N[C@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)OC(=O)N)O)NC(=O)C[C@H](CCCNC(=O)C[C@H](CCCNC(=O)C[C@H](CCCNC(=O)C[C@H](CCCNC(=O)C[C@H](CCCN)N)N)N)N)N)O
InChIKey	SFBVRPSSMVXTDR-PTESPJIQSA-N