Isobleomycin A2
[CAS# 51041-93-1]

Identification

• Name: Isobleomycin A2
• Synonyms: 3-[[2-[2-[2-[[2-[[4-[[2-[[6-Amino-2-[3-Amino-1-[(2,3-Diamino-3-Oxo-Propyl)Amino]-3-Oxo-Propyl]-5-Methyl-Pyrimidine-4-Carbonyl]Amino]-3-[3-[4-Carbamoyloxy-3,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]-3-Hydroxy-2-Methyl-Pentanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]Ethyl]Thiazol-4-Yl]Thiazole-4-Carbonyl]Amino]Propyl-Dimethyl-Sulfonium; 3-[[[2-[2-[2-[[2-[[4-[[2-[[[6-Amino-2-[3-Amino-1-[(2,3-Diamino-3-Oxopropyl)Amino]-3-Oxopropyl]-5-Methyl-4-Pyrimidinyl]-Oxomethyl]Amino]-3-[[3-[[4-Carbamoyloxy-3,5-Dihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-4,5-Dihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-3-(3H-Imidazol-4-Yl)-1-Oxopropyl]Amino]-3-Hydroxy-2-Methyl-1-Oxopentyl]Amino]-3-Hydroxy-1-Oxobutyl]Amino]Ethyl]-4-Thiazolyl]-4-Thiazolyl]-Oxomethyl]Amino]Propyl-Dimethylsulfonium; 3-[[2-[2-[2-[[2-[[4-[[2-[[6-Amino-2-[3-Amino-1-[(2,3-Diamino-3-Keto-Propyl)Amino]-3-Keto-Propyl]-5-Methyl-Pyrimidine-4-Carbonyl]Amino]-3-[3-(4-Carbamoyloxy-3,5-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl)Oxy-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]-3-Hydroxy-2-Methyl-Pentanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]Ethyl]Thiazol-4-Yl]Thiazole-4-Carbonyl]Amino]Propyl-Dimethyl-Sulfonium
• Molecular Formula: C₅₅H₈₄N₁₇O₂₁S₃
• Molecular Weight: 1415.55
• CAS Registry Number: 51041-93-1
• SMILES: C1=C([NH]C=N1)C(OC2OC(C(O)C(O)C2OC3OC(C(O)C(OC(=O)N)C3O)CO)CO)C(NC(=O)C4=NC(=NC(=C4C)N)C(NCC(N)C(=O)N)CC(=O)N)C(=O)NC(C(O)C(C(=O)NC(C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)C(O)C)C)C
• InChI: 1S/C55H83N17O21S3/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88)/p+1
• InChIKey: OYVAGSVQBOHSSS-UHFFFAOYSA-O