N1-[3-[(4-Aminobutyl)Amino]Propyl]-13-[(4-Amino-4,6-Dideoxy-alpha-L-Talopyranosyl)Oxy]-19-Demethyl-12-Hydroxybleomycinamide
[CAS# 65057-91-2]

Identification

• Name: N1-[3-[(4-Aminobutyl)Amino]Propyl]-13-[(4-Amino-4,6-Dideoxy-alpha-L-Talopyranosyl)Oxy]-19-Demethyl-12-Hydroxybleomycinamide
• 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-[2-[2-[3-(4-Aminobutylamino)Propylcarbamoyl]Thiazol-4-Yl]Thiazol-4-Yl]-1-(5-Amino-3,4-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-2-Hydroxy-Ethyl]Carbamoyl]-2-Hydroxy-Propyl]Amino]-2-Hydroxy-1-Methyl-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-Keto-Propyl)Amino]-3-Keto-Propyl]-5-Methyl-Pyrimidine-4-Carbonyl]Amino]-3-[[4-[[1-[[2-[2-[2-[3-(4-Aminobutylamino)Propylcarbamoyl]Thiazol-4-Yl]Thiazol-4-Yl]-1-(5-Amino-3,4-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-2-Hydroxy-Ethyl]Carbamoyl]-2-Hydroxy-Propyl]Amino]-2-Hydroxy-4-Keto-1-Methyl-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; [2-[2-[2-[[6-Amino-2-[3-Amino-1-[(2,3-Diamino-3-Oxo-Propyl)Amino]-3-Oxo-Propyl]-5-Methyl-Pyrimidin-4-Yl]Carbonylamino]-3-[[5-[[1-[[2-[2-[2-[3-(4-Aminobutylamino)Propylcarbamoyl]-1,3-Thiazol-4-Yl]-1,3-Thiazol-4-Yl]-1-(5-Amino-3,4-Dihydroxy-6-Methyl-Oxan-2-Yl)Oxy-2-Hydroxy-Ethyl]Amino]-3-Hydroxy-1-Oxo-Butan-2-Yl]Amino]-3-Hydroxy-5-Oxo-Pentan-2-Yl]Amino]-1-(3H-Imidazol-4-Yl)-3-Oxo-Propoxy]-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-3-Yl]Oxy-3,5-Dihydroxy-6-(Hydroxymethyl)Oxan-4-Yl] Carbamate
• Molecular Formula: C₆₂H₉₈N₂₀O₂₆S₂
• Molecular Weight: 1603.69
• CAS Registry Number: 65057-91-2
• SMILES: C1=C(N=C(S1)C(NCCCNCCCCN)=O)C2=NC(=CS2)C(C(OC3C(C(C(C(O3)C)N)O)O)NC(C(C(C)O)NC(CC(C(NC(C(C(C4=CN=C[NH]4)OC5C(C(C(C(O5)CO)O)O)OC6OC(C(C(C6O)OC(N)=O)O)CO)NC(C7=NC(=NC(=C7C)N)C(NCC(C(N)=O)N)CC(N)=O)=O)=O)C)O)=O)=O)O
• InChI: 1S/C62H98N20O26S2/c1-21-36(79-51(81-49(21)67)26(12-33(65)87)73-14-25(64)50(68)96)52(97)80-38(46(27-15-71-20-74-27)105-61-48(43(93)40(90)31(16-83)104-61)106-60-45(95)47(107-62(69)101)41(91)32(17-84)103-60)54(99)75-22(2)30(86)13-34(88)78-37(23(3)85)53(98)82-56(108-59-44(94)42(92)35(66)24(4)102-59)39(89)28-18-109-57(76-28)29-19-110-58(77-29)55(100)72-11-7-10-70-9-6-5-8-63/h15,18-20,22-26,30-32,35,37-48,56,59-61,70,73,83-86,89-95H,5-14,16-17,63-64,66H2,1-4H3,(H2,65,87)(H2,68,96)(H2,69,101)(H,71,74)(H,72,100)(H,75,99)(H,78,88)(H,80,97)(H,82,98)(H2,67,79,81)
• InChIKey: BIUGJJCUWBXOGW-UHFFFAOYSA-N