Talisomycin

[(2R,3S,4S,5R,6R)-2-[(2S,3S,4S,5S,6S)-2-[3-[[5-[[1-[[2-[4-[4-[[4-amino-6-[3-(4-aminobutylamino)propylamino]-6-oxohexyl]carbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-1-[(2S,3R,4R,5S,6S)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]oxy-2-hydroxyethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-5-oxopentan-2-yl]amino]-2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate

Also Known As: Talisomycin|Tallysomycin A|Talisomycin A|TALLYSOMYCIN|Antibiotic BU 2231A|Talisomycin [USAN:INN]|Talisomycine [INN-French]|Talisomycinum [INN-Latin]|Talisomycina [INN-Spanish]|KST-1A7395|BU 2231A|33851-EP2275420A1|33851-EP2295055A2|33851-EP2295416A2|33851-EP2298748A2|33851-EP2298764A1|33851-EP2298765A1|33851-EP2305642A2|33851-EP2311453A1|33851-EP2311808A1|33851-EP2311829A1|(2r,3s,4s,5r,6r)-2-{[(2s,3s,4s,5s,6s)-2-[3-({5-[(1-{[2-(4-{[4-amino-6-({3-[(4-aminobutyl)amino]propyl}amino)-6-oxohexyl]carbamoyl}-2,4'-bi-1,3-thiazol-2'-yl)-1-{[(2s,3r,4r,5s,6s)-5-amino-3,4-dihydroxy-6-methyltetrahydro-2h-pyran-2-yl]oxy}-2-hydroxyethyl]amino}-3-hydroxy-1-oxobutan-2-yl)amino]-3-hydroxy-5-oxopentan-2-yl}amino)-2-{[(6-amino-2-{3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl}-5-methylpyrimidin-4-yl)carbonyl]amino}-1-(1h-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-4-yl carbamate(non-preferred name)|[(2R,3S,4S,5R,6R)-2-[(2S,3S,4S,5S,6S)-2-[3-[[5-[[1-[[2-[4-[4-[[4-amino-6-[3-(4-aminobutylamino)propylamino]-6-oxohexyl]carbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-1-[(2S,3R,4R,5S,6S)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]oxy-2-hydroxyethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-5-oxopentan-2-yl]amino]-2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate|Bleomycinamide, N(sup 1)-(4-amino-6-((3-((4-aminobutyl)amino)propyl)amino)-6-oxohexyl)-13-((4-amino-4,6-dideoxy-alpha-L-talopyranosyl)oxy)-19-demethyl-12-hydroxy-|N(sup 1)-(4-Amino-5-((3-((4-aminobutyl)amino)propyl)carbamoyl)pentyl)-13-((4-amino-4,6-dideoxy-alpha-L-talopyranosyl)oxy)-19-demethyl-12-hydroxybleomycinamide

Molecular Formula	C68H110N22O27S2
Molecular Weight	1730.7352 g/mol
LogP	-11.26
Topological Polar Surface Area	825.41 Ų
Hydrogen Bond Donors	28
Hydrogen Bond Acceptors	41
Rotatable Bonds	47
Exact Mass	1730.7352
Heavy Atoms	119
Complexity	3957.9

Chemical Identifiers

CAS Number	67221-50-5
SMILES	C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)OC(C(C2=NC(=CS2)C3=NC(=CS3)C(=O)NCCCC(CC(=O)NCCCNCCCCN)N)O)NC(=O)C(C(C)O)NC(=O)CC(C(C)NC(=O)C(C(C4=CN=CN4)O[C@@H]5[C@H]([C@H]([C@@H]([C@@H](O5)CO)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)OC(=O)N)O)NC(=O)C7=C(C(=NC(=N7)C(CC(=O)N)NCC(C(=O)N)N)N)C)O)O)O)N