Deisovalerylblastmycin

N-[(2R,3S,6S,7R,8R)-8-butyl-7-hydroxy-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-3-yl]-3-formamido-2-hydroxybenzamide

Also Known As: Deisovalerylblastmycin|Blastmycin, deisovalery-|N-[(2R,3S,6S,7R,8R)-8-butyl-7-hydroxy-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-3-yl]-3-formamido-2-hydroxybenzamide|N-(7-Butyl-8-hydroxy-4,9-dimethyl-2,6-dioxo-1,5-dioxonan-3-yl)-3-formamidosalicylamide|Benzamide, N-(7-butyl-8-hydroxy-4,9-dimethyl-2,6-dioxo-1,5-dioxonan-3-yl)-3-(formylamino)-2-hydroxy-, (3S-(3R*,4S*,7S*,8S*,9R*))-|Salicylamide, N-(7-butyl-4,9-dimethyl-2,6-dioxo-8-hydroxy-1,5-dioxonan-3-yl)-3-formamido-|N-((3S,4R,7R,8R,9S)-7-butyl-8-hydroxy-4,9-dimethyl-2,6-dioxo-1,5-dioxonan-3-yl)-3-formamido-2-hydroxybenzamide|N-[(3S,4R,7R,8R,9S)-7-butyl-8-hydroxy-4,9-dimethyl-2,6-dioxo-1,5-dioxonan-3-yl]-3-formamido-2-hydroxybenzamide|[2R,3S,6S,7R,8R,(+)]-8-Butyl-3-[(3-formylamino-2-hydroxybenzoyl)amino]-7-hydroxy-2,6-dimethyl-4,9-dioxo-1,5-dioxonane|N-((2R,3S,6S,7R,8R)-8-butyl-7-hydroxy-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-3-yl)-3-formamido-2-hydroxybenzamide|N-[(3S,4R,7R,8R,9S)-4,9-Dimethyl-2,6-dioxo-7-butyl-8-hydroxy-1,5-dioxonane-3-yl]-3-(formylamino)-2-hydroxybenzamide

Molecular Formula	C21H28N2O8
Molecular Weight	436.18457 g/mol
LogP	2.4
Topological Polar Surface Area	151.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	436.18457
Monoisotopic Mass	436.18457
Heavy Atoms	31
Complexity	657.0

Chemical Identifiers

CAS Number	60504-95-2
SMILES	CCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)O)C)O
InChIKey	RQVHZRRXZBBXMY-ZMNIPVBYSA-N