Demethylbleomycin A2 (Technical Grade), TRC

CAS: 41089-03-6 Molecular Formula: C54H81N17O21S3 Molecular Weight (g/mol): 1400.52 Synonym: Bleomycin DM-A2, N1-[3-(Methylthio)propyl]bleomycinamide,(2R,3S,4S,5R,6R)-2-(((2R,3S,4R,5S,6S)-2-((1R,2S)-2-(6-Amino-2-((S)-3-amino-1-(((S)-2,3-diamino-3-oxopropyl)amino)-3-oxopropyl)-5-methylpyrimidine-4-carboxamido)-3-(((2R,3S,4S)-3-hydroxy-5-(((3R)-3-hydroxy-1-((2-(4-((3-(methylthio)propyl)carbamoyl)-[2,4'-bithiazol]-2'-yl)ethyl)amino)-1-oxobutan-2-yl)amino)-4-methyl-5-oxopentan-2-yl)amino)-1-(1H-imidazol-4-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 IUPAC Name: [(2R,5R)-2-[(2R,5S)-2-[(2S)-2-[[6-amino-2-[3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[(2R,3S,4S)-3-hydroxy-5-[[(3R)-3-hydroxy-1-[2-[4-[4-(3-methylsulfanylpropylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-1-oxobutan-2-yl]amino]-4-methyl-5-oxopentan-2-yl]amino]-1-(1H-imidazol-4-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate SMILES: CSCCCNC(=O)c1csc(n1)c2csc(CCNC(=O)C(NC(=O)[C@@H](C)[C@H](O)[C@@H](C)NC(=O)[C@@H](NC(=O)c3nc(nc(N)c3C)C(CC(=O)N)NC[C@H](N)C(=O)N)C(O[C@@H]4OC(CO)[C@@H](O)C(O)C4O[C@H]5OC(CO)[C@@H](O)C(OC(=O)N)C5O)c6c[nH]cn6)[C@@H](C)O)n2