(33R)-N1-[4-(Amidinoamino)Butyl]Bleomycinamide
[CAS# 62624-78-6]

Identification

• Name: (33R)-N1-[4-(Amidinoamino)Butyl]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-[[4-[[1-[2-[4-[4-(4-Guanidinobutylcarbamoyl)Thiazol-5-Yl]Thiazol-2-Yl]Ethylcarbamoyl]-2-Hydroxy-Propyl]Amino]-2-Hydroxy-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-[[4-[[1-[[2-[4-[4-[(4-Guanidinobutylamino)-Oxomethyl]-5-Thiazolyl]-2-Thiazolyl]Ethylamino]-Oxomethyl]-2-Hydroxypropyl]Amino]-2-Hydroxy-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-[[4-[[1-[2-[4-[4-(4-Guanidinobutylcarbamoyl)Thiazol-5-Yl]Thiazol-2-Yl]Ethylcarbamoyl]-2-Hydroxy-Propyl]Amino]-2-Hydroxy-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: C₅₅H₈₄N₂₀O₂₁S₂
• Molecular Weight: 1425.51
• CAS Registry Number: 62624-78-6
• 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=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=C(N=CS6)C(=O)NCCCCN=C(N)N)C
• InChI: 1S/C55H84N20O21S2/c1-19-31(72-46(75-44(19)58)24(11-29(57)79)67-12-23(56)45(59)85)50(89)74-33(40(25-13-63-17-68-25)94-53-42(38(83)36(81)27(14-76)93-53)95-52-39(84)41(96-55(62)91)37(82)28(15-77)92-52)51(90)70-21(3)35(80)20(2)47(86)73-32(22(4)78)48(87)65-10-7-30-71-26(16-97-30)43-34(69-18-98-43)49(88)64-8-5-6-9-66-54(60)61/h13,16-18,20-24,27-28,32-33,35-42,52-53,67,76-78,80-84H,5-12,14-15,56H2,1-4H3,(H2,57,79)(H2,59,85)(H2,62,91)(H,63,68)(H,64,88)(H,65,87)(H,70,90)(H,73,86)(H,74,89)(H2,58,72,75)(H4,60,61,66)
• InChIKey: NRURSPFITWGNRU-UHFFFAOYSA-N

Properties

• Density: 1.796g/cm³ (Cal.)