N1-[2-(1H-Imidazol-4-yl)ethyl]-Bleomycinamide
[CAS# 62960-69-4]

Identification

• Name: N1-[2-(1H-Imidazol-4-yl)ethyl]-Bleomycinamide
• Synonyms: [2-[2-[2-[[6-Amino-2-[3-Amino-1-[(2,3-Diamino-3-Oxo-Propyl)Amino]-3-Oxo-Propyl]-5-Methyl-Pyrimidine-4-Carbonyl]Amino]-3-[[2-Hydroxy-4-[[2-Hydroxy-1-[2-[4-[4-[2-(3H-Imidazol-4-Yl)Ethylcarbamoyl]Thiazol-2-Yl]Thiazol-2-Yl]Ethylcarbamoyl]Propyl]Amino]-1,3-Dimethyl-4-Oxo-Butyl]Amino]-1-(3H-Imidazol-4-Yl)-3-Oxo-Propoxy]-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-3-Yl]Oxy-3,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-4-Yl] Carbamate; Carbamic Acid [2-[[2-[2-[[[6-Amino-2-[3-Amino-1-[(2,3-Diamino-3-Oxopropyl)Amino]-3-Oxopropyl]-5-Methyl-4-Pyrimidinyl]-Oxomethyl]Amino]-3-[[2-Hydroxy-4-[[2-Hydroxy-1-[[2-[4-[4-[[2-(3H-Imidazol-4-Yl)Ethylamino]-Oxomethyl]-2-Thiazolyl]-2-Thiazolyl]Ethylamino]-Oxomethyl]Propyl]Amino]-1,3-Dimethyl-4-Oxobutyl]Amino]-1-(3H-Imidazol-4-Yl)-3-Oxopropoxy]-4,5-Dihydroxy-6-(Hydroxymethyl)-3-Tetrahydropyranyl]Oxy]-3,5-Dihydroxy-6-(Hydroxymethyl)-4-Tetrahydropyranyl] Ester; Carbamic Acid [2-[2-[2-[[6-Amino-2-[3-Amino-1-[(2,3-Diamino-3-Keto-Propyl)Amino]-3-Keto-Propyl]-5-Methyl-Pyrimidine-4-Carbonyl]Amino]-3-[[2-Hydroxy-4-[[2-Hydroxy-1-[2-[4-[4-[2-(3H-Imidazol-4-Yl)Ethylcarbamoyl]Thiazol-2-Yl]Thiazol-2-Yl]Ethylcarbamoyl]Propyl]Amino]-4-Keto-1,3-Dimethyl-Butyl]Amino]-1-(3H-Imidazol-4-Yl)-3-Keto-Propoxy]-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-3-Yl]Oxy-3,5-Dihydroxy-6-Methylol-Tetrahydropyran-4-Yl] Ester
• Molecular Formula: C₅₅H₇₉N₁₉O₂₁S₂
• Molecular Weight: 1406.46
• CAS Registry Number: 62960-69-4
• SMILES: C7=NC=C(C(C(NC(C1=NC(=NC(=C1C)N)C(CC(=O)N)NCC(N)C(=O)N)=O)C(NC(C(C(C(NC(C(NCCC2=NC(=CS2)C3=NC(=CS3)C(NCCC4=CN=C[NH]4)=O)=O)C(C)O)=O)C)O)C)=O)OC5OC(C(C(C5OC6OC(C(C(C6O)OC(=O)N)O)CO)O)O)CO)[NH]7
• InChI: 1S/C55H79N19O21S2/c1-19-33(71-46(74-44(19)58)25(9-31(57)78)65-11-24(56)45(59)84)50(88)73-35(41(26-12-62-18-67-26)93-54-43(39(82)37(80)29(13-75)92-54)94-53-40(83)42(95-55(60)90)38(81)30(14-76)91-53)51(89)68-21(3)36(79)20(2)47(85)72-34(22(4)77)49(87)64-8-6-32-69-28(16-96-32)52-70-27(15-97-52)48(86)63-7-5-23-10-61-17-66-23/h10,12,15-18,20-22,24-25,29-30,34-43,53-54,65,75-77,79-83H,5-9,11,13-14,56H2,1-4H3,(H2,57,78)(H2,59,84)(H2,60,90)(H,61,66)(H,62,67)(H,63,86)(H,64,87)(H,68,89)(H,72,85)(H,73,88)(H2,58,71,74)
• InChIKey: XONNZOVMPIEEMM-UHFFFAOYSA-N

Properties

• Density: 1.633g/cm³ (Cal.)