Nikkomycin B

2-[[2-amino-4-hydroxy-4-(4-hydroxyphenyl)-3-methylbutanoyl]amino]-2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid

Also Known As: Nikkomycin B|2-[[2-amino-4-hydroxy-4-(4-hydroxyphenyl)-3-methylbutanoyl]amino]-2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid|beta-D-Allofuranuronic acid, 5-((2-amino-4-hydroxy-4-(4-hydroxyphenyl)-3-methyl-1-oxobutyl)amino)-1,5-dideoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)pyrimidinyl)-, (2S-(2R*,3R*,4R*))-|1-(5-{[2-Amino-1,4-dihydroxy-4-(4-hydroxyphenyl)-3-methylbutylidene]amino}-5-deoxyhexofuranuronosyl)-4-hydroxypyrimidin-2(1H)-one

Molecular Formula	C21H26N4O10
Molecular Weight	494.1649 g/mol
LogP	-4.5
Topological Polar Surface Area	232.0 Ų
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	11
Rotatable Bonds	8
Exact Mass	494.1649
Monoisotopic Mass	494.1649
Heavy Atoms	35
Complexity	861.0

Chemical Identifiers

CAS Number	74342-20-4
SMILES	CC(C(C1=CC=C(C=C1)O)O)C(C(=O)NC(C2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)N
InChIKey	LQZKMASBFQOGJR-UHFFFAOYSA-N