Copper bleomycin

copper 3-[4-amino-6-[[1-[3-[3,5-dihydroxy-6-(hydroxymethyl)-4-(C-oxidocarbonimidoyl)oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[[5-[[1-[2-[4-[4-(3-dimethylsulfoniopropylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropan-2-yl]carbamoyl]-5-methylpyrimidin-2-yl]-3-[(2-amino-3-imino-3-oxidopropyl)amino]propanimidate

Also Known As: Copper bleomycin|bleomycin Cu|Bleomycin A2-copper(II) complex|Bleomycinamide, N1-(3-(dimethylsulfonio)propyl)-, copper complex|Copper(2+), (N1-(3-(dimethylsulfonio)propyl)bleomycinamidato)-|copper;3-[4-amino-6-[[1-[3-[3,5-dihydroxy-6-(hydroxymethyl)-4-(C-oxidocarbonimidoyl)oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[[5-[[1-[2-[4-[4-(3-dimethylsulfoniopropylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropan-2-yl]carbamoyl]-5-methylpyrimidin-2-yl]-3-[(2-amino-3-imino-3-oxidopropyl)amino]propanimidate|copper 3-[4-amino-6-[[1-[3-[3,5-dihydroxy-6-(hydroxymethyl)-4-(C-oxidocarbonimidoyl)oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[[5-[[1-[2-[4-[4-(3-dimethylsulfoniopropylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropan-2-yl]carbamoyl]-5-methylpyrimidin-2-yl]-3-[(2-amino-3-imino-3-oxidopropyl)amino]propanimidate|copper(2+)(2-amino-3-{[1-(4-amino-6-{[1-{[3-({4-[(azanidylcarbonyl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}-3-({5-[(1-{[2-(4-{[3-(dimethylsulfonio)propyl]carbamoyl}-2,4'-bi-1,3-thiazol-2'-yl)ethyl]amino}-3-hydroxy-1-oxobutan-2-yl)amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl}amino)-1-(1h-imidazol-5-yl)-3-oxopropan-2-yl]carbamoyl}-5-methylpyrimidin-2-yl)-3-azanidyl-3-oxopropyl]amino}propanoyl)azanide(non-preferred name)

Molecular Formula	C55H81CuN17O21S3
Molecular Weight	1474.425 g/mol
LogP	-8.78517
Topological Polar Surface Area	696.0 Ų
Hydrogen Bond Donors	20
Hydrogen Bond Acceptors	34
Rotatable Bonds	36
Exact Mass	1474.425
Monoisotopic Mass	1474.425
Heavy Atoms	97
Complexity	2580.0

Chemical Identifiers

CAS Number	7451-53-8
SMILES	CC1=C(N=C(N=C1N)C(CC(=N)[O-])NCC(C(=N)[O-])N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=N)[O-])O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O.[Cu+2]
InChIKey	OPSYKRSMSZOFSX-UHFFFAOYSA-L