N1-(4-Aminobutyl)-13-[(4-Amino-4,6-Dideoxy-alpha-L-Talopyranosyl)Oxy]-19-Demethyl-12-Hydroxybleomycinamide
[CAS# 76069-32-4]

Identification

• Name: N1-(4-Aminobutyl)-13-[(4-Amino-4,6-Dideoxy-alpha-L-Talopyranosyl)Oxy]-19-Demethyl-12-Hydroxybleomycinamide
• Synonyms: Nsc304426
• Molecular Formula: C₅₉H₉₅Cl₄N₁₉O₂₆S₂
• Molecular Weight: 1692.44
• CAS Registry Number: 76069-32-4
• SMILES: S1C(=NC(=C1)C2=NC(=CS2)C(=O)NCCCCN)C(O)C(OC3OC(C(N)C(O)C3O)C)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](NC(=O)[C@@H](NC(=O)C4=C(C(=NC(=N4)[C@@H](NC[C@H](N)C(=O)N)CC(=O)N)N)C)[C@@H](OC5OC(C(O)C(O)C5OC6OC(C(O)C(OC(=O)N)C6O)CO)CO)C7=CN=C[NH]7)C)[C@H](O)C.[H+].[H+].[H+].[H+].[Cl-].[Cl-].[Cl-].[Cl-]
• InChI: 1S/C59H91N19O26S2.4ClH/c1-18-33(75-48(77-46(18)64)23(9-30(62)83)69-11-22(61)47(65)92)50(94)76-35(43(24-12-67-17-70-24)101-58-45(39(88)36(85)28(13-79)100-58)102-57-41(90)44(103-59(66)97)37(86)29(14-80)99-57)52(96)71-19(2)27(82)10-31(84)74-34(20(3)81)51(95)78-53(104-56-40(89)38(87)32(63)21(4)98-56)42(91)55-73-26(16-106-55)54-72-25(15-105-54)49(93)68-8-6-5-7-60;;;;/h12,15-17,19-23,27-29,32,34-45,53,56-58,69,79-82,85-91H,5-11,13-14,60-61,63H2,1-4H3,(H2,62,83)(H2,65,92)(H2,66,97)(H,67,70)(H,68,93)(H,71,96)(H,74,84)(H,76,94)(H,78,95)(H2,64,75,77);4*1H/t19-,20-,21?,22+,23+,27+,28?,29?,32?,34+,35+,36?,37?,38?,39?,40?,41?,42?,43+,44?,45?,53?,56?,57?,58?;;;;/m1..../s1
• InChIKey: RKUUPLUISZAJNH-VGDFSOHTSA-N