Bleomycin B6

[(2S,3R,4R,5S,6S)-2-[(3R,4R,5R,6R)-2-[(1R,2R)-2-[[6-amino-2-[3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[(3R,4R)-5-[[(2R,3R)-1-[2-[4-[4-[4-[[N'-[4-[[N'-[4-(diaminomethylideneamino)butyl]carbamimidoyl]amino]butyl]carbamimidoyl]amino]butylcarbamoyl]-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-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate

Also Known As: Bleomycin B6|N1-(20-Amino-6,13,20-triimino-5,7,12,14,19-pentaazaeicos-1-yl)bleomycinamide|Bleomycinamide, N1-(20-amino-6,13,20-triimino-5,7,12,14,19-pentaazaeicos-1-yl)-|n1-(20-amino-6,13,20-triimino-5,7,12,14,19-pentaazaeicos-1-yl)-bleomycinamide|[(2S,3R,4R,5S,6S)-2-[(3R,4R,5R,6R)-2-[(1R,2R)-2-[[6-amino-2-[3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[(3R,4R)-5-[[(2R,3R)-1-[2-[4-[4-[4-[[N'-[4-[[N'-[4-(diaminomethylideneamino)butyl]carbamimidoyl]amino]butyl]carbamimidoyl]amino]butylcarbamoyl]-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-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate

Molecular Formula	C65H106N26O21S2
Molecular Weight	1650.7467 g/mol
LogP	-9.54898
Topological Polar Surface Area	792.29 Ų
Hydrogen Bond Donors	26
Hydrogen Bond Acceptors	34
Rotatable Bonds	46
Exact Mass	1650.7467
Monoisotopic Mass	1650.7467
Heavy Atoms	114
Complexity	3876.6863

Chemical Identifiers

CAS Number	73666-80-5
SMILES	CC1=C(N=C(N=C1N)C(CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@H]([C@H](C2=CN=CN2)OC3[C@@H]([C@@H]([C@H]([C@H](O3)CO)O)O)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)CO)O)OC(=O)N)O)C(=O)NC(C)[C@@H]([C@@H](C)C(=O)N[C@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCCCNC(=NCCCCNC(=NCCCCN=C(N)N)N)N)O