Nikkomycin X

(2S)-2-[(2R,3S,4R,5R)-5-(5-acetyl-2-oxo-1H-imidazol-3-yl)-3,4-dihydroxyoxolan-2-yl]-2-[[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methylbutanoyl]amino]acetic acid

Also Known As: Nikkomycin X|KST-1A8093|9-Chloro-10-methylacridinium chloride|Acridinium, 9-chloro-10-methyl-, chloride|(2s)-[(2r,3s,4r,5r)-5-(4-acetyl-2-oxo-2,3-dihydro-1h-imidazol-1-yl)-3,4-dihydroxytetrahydrofuran-2-yl]{[(2s,3s,4s)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino}ethanoic acid(non-preferred name)|(2S)-2-[(2R,3S,4R,5R)-5-(5-acetyl-2-oxo-1H-imidazol-3-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-[[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridyl)-3-methyl-butanoyl]amino]acetic acid|(2S)-2-[(2R,3S,4R,5R)-5-(5-acetyl-2-oxo-1H-imidazol-3-yl)-3,4-dihydroxyoxolan-2-yl]-2-[[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino]acetic acid|.beta.-D-Allofuranuronic acid, 5-[[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methyl-1-oxobutyl]amino]-1,5-dideoxy-1-(4-formyl-2,3-dihydro-2-oxo-1H-imidazol-1-yl)-

Molecular Formula	C21H27N5O10
Molecular Weight	509.17578 g/mol
LogP	-2.63
Topological Polar Surface Area	250.32 Ų
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	12
Rotatable Bonds	9
Exact Mass	509.17578
Heavy Atoms	36
Complexity	1178.5

Chemical Identifiers

CAS Number	75586-67-3
SMILES	C[C@H]([C@@H](C1=NC=C(C=C1)O)O)[C@@H](C(=O)N[C@@H]([C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(NC3=O)C(=O)C)O)O)C(=O)O)N