N1-[3-[[3-(Butylamino)propyl]amino]propyl]-Bleomycinamide
[CAS# 69177-41-9]

Identification

• Name: N1-[3-[[3-(Butylamino)propyl]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-[[4-[[1-[2-[4-[4-[3-(3-Butylaminopropylamino)Propylcarbamoyl]Thiazol-2-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-[[3-(3-Butylaminopropylamino)Propylamino]-Oxomethyl]-2-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-[3-(3-Butylaminopropylamino)Propylcarbamoyl]Thiazol-2-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: C₆₀H₉₅N₁₉O₂₁S₂
• Molecular Weight: 1482.65
• CAS Registry Number: 69177-41-9
• 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)NCCCNCCCNCCCC)C(O)C)C)C
• InChI: 1S/C60H95N19O21S2/c1-6-7-11-66-12-8-13-67-14-9-15-69-53(91)32-22-102-57(75-32)33-23-101-37(74-33)10-16-70-54(92)39(28(5)82)77-52(90)26(3)41(84)27(4)73-56(94)40(78-55(93)38-25(2)49(63)79-51(76-38)30(17-36(62)83)71-18-29(61)50(64)89)46(31-19-68-24-72-31)98-59-48(44(87)42(85)34(20-80)97-59)99-58-45(88)47(100-60(65)95)43(86)35(21-81)96-58/h19,22-24,26-30,34-35,39-48,58-59,66-67,71,80-82,84-88H,6-18,20-21,61H2,1-5H3,(H2,62,83)(H2,64,89)(H2,65,95)(H,68,72)(H,69,91)(H,70,92)(H,73,94)(H,77,90)(H,78,93)(H2,63,76,79)
• InChIKey: FLFCXZBJUUSBFH-UHFFFAOYSA-N

Properties

• Density: 1.524g/cm³ (Cal.)