N1-[3-[[2-(2-Pyridyl)Ethyl]Amino]Propyl]Bleomycinamide
[CAS# 61949-96-0]

Identification

• Name: N1-[3-[[2-(2-Pyridyl)Ethyl]Amino]Propyl]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-[3-[2-(2-Pyridyl)Ethylamino]Propylcarbamoyl]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-[Oxo-[2-[4-[4-[Oxo-[3-[2-(2-Pyridyl)Ethylamino]Propylamino]Methyl]-2-Thiazolyl]-2-Thiazolyl]Ethylamino]Methyl]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-[3-[2-(2-Pyridyl)Ethylamino]Propylcarbamoyl]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: C₆₀H₈₇N₁₉O₂₁S₂
• Molecular Weight: 1474.58
• CAS Registry Number: 61949-96-0
• SMILES: C1=NC=C([NH]1)C(C(C(NC(C(C(C(NC(C(NCCC2=NC(=CS2)C3=NC(=CS3)C(NCCCNCCC4=NC=CC=C4)=O)=O)C(C)O)=O)C)O)C)=O)NC(C5=NC(=NC(=C5C)N)C(NCC(C(N)=O)N)CC(N)=O)=O)OC6C(C(C(C(O6)CO)O)O)OC7OC(C(C(C7O)OC(N)=O)O)CO
• InChI: 1S/C60H87N19O21S2/c1-24-38(76-51(79-49(24)63)30(16-36(62)83)71-17-29(61)50(64)89)55(93)78-40(46(31-18-67-23-72-31)98-59-48(44(87)42(85)34(19-80)97-59)99-58-45(88)47(100-60(65)95)43(86)35(20-81)96-58)56(94)73-26(3)41(84)25(2)52(90)77-39(27(4)82)54(92)70-15-10-37-74-33(22-101-37)57-75-32(21-102-57)53(91)69-13-7-11-66-14-9-28-8-5-6-12-68-28/h5-6,8,12,18,21-23,25-27,29-30,34-35,39-48,58-59,66,71,80-82,84-88H,7,9-11,13-17,19-20,61H2,1-4H3,(H2,62,83)(H2,64,89)(H2,65,95)(H,67,72)(H,69,91)(H,70,92)(H,73,94)(H,77,90)(H,78,93)(H2,63,76,79)
• InChIKey: UAGBVOMVWIAELJ-UHFFFAOYSA-N

Properties

• Density: 1.575g/cm³ (Cal.)