[2-[2-[2-[[6-Amino-2-[1-[(2-Amino-2-Carbamoyl-Ethyl)Amino]-2-Carbamoyl-Ethyl]-5-Methyl-Pyrimidine-4-Carbonyl]Amino]-2-[[4-[[1-[2-[4-[4-[3-(4 -Aminobutylamino)Propylcarbamoyl]-1,3-Thiazol-2-Yl]-1,3-Thiazol-2-Yl]Ethylcarbamoyl]-2-Hydroxy-Propyl]Carbamoyl]-3-Hydroxy-Pentan-2-Yl]Carbamoyl]-1-(3H-Imidazol-4-Yl)Ethoxy]-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan- 3-Yl]Oxy-3,5-Dihydroxy-6-(Hydroxymethyl)Oxan-4-Yl] Carbamate Hydrochloride
[CAS# 70502-64-6]

Identification

• Name: [2-[2-[2-[[6-Amino-2-[1-[(2-Amino-2-Carbamoyl-Ethyl)Amino]-2-Carbamoyl-Ethyl]-5-Methyl-Pyrimidine-4-Carbonyl]Amino]-2-[[4-[[1-[2-[4-[4-[3-(4 -Aminobutylamino)Propylcarbamoyl]-1,3-Thiazol-2-Yl]-1,3-Thiazol-2-Yl]Ethylcarbamoyl]-2-Hydroxy-Propyl]Carbamoyl]-3-Hydroxy-Pentan-2-Yl]Carbamoyl]-1-(3H-Imidazol-4-Yl)Ethoxy]-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan- 3-Yl]Oxy-3,5-Dihydroxy-6-(Hydroxymethyl)Oxan-4-Yl] Carbamate Hydrochloride
• Synonyms: N1-(3-((4-Aminobutyl)Amino)Propyl)Bleomycinamide Hydrochloride; Bleomycin A5 Hydrochloride
• Molecular Formula: C₅₇H₉₀ClN₁₉O₂₁S₂
• Molecular Weight: 1477.03
• CAS Registry Number: 70502-64-6
• SMILES: [H+].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=C(C(=NC(=N4)C(NCC(N)C(=O)N)CC(=O)N)N)C)C(=O)NC(C(O)C(C)C(=O)NC(C(O)C)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCCNCCCCN)C.[Cl-]
• InChI: 1S/C57H89N19O21S2.ClH/c1-22-35(73-48(76-46(22)61)27(14-33(60)80)68-15-26(59)47(62)86)52(90)75-37(43(28-16-65-21-69-28)95-56-45(41(84)39(82)31(17-77)94-56)96-55-42(85)44(97-57(63)92)40(83)32(18-78)93-55)53(91)70-24(3)38(81)23(2)49(87)74-36(25(4)79)51(89)67-13-8-34-71-30(20-98-34)54-72-29(19-99-54)50(88)66-12-7-11-64-10-6-5-9-58;/h16,19-21,23-27,31-32,36-45,55-56,64,68,77-79,81-85H,5-15,17-18,58-59H2,1-4H3,(H2,60,80)(H2,62,86)(H2,63,92)(H,65,69)(H,66,88)(H,67,89)(H,70,91)(H,74,87)(H,75,90)(H2,61,73,76);1H
• InChIKey: NRVKJXFKQWUKCB-UHFFFAOYSA-N