N(1)-(3-((3-((2-(4-Chlorocyclohexyl)-1-Iminoethyl) Amino)Propyl)Amino)Propyl)-Bleomycinamide
[CAS# 58071-32-2]

Identification

• Name: N(1)-(3-((3-((2-(4-Chlorocyclohexyl)-1-Iminoethyl) Amino)Propyl)Amino)Propyl)-Bleomycinamide
• Synonyms: Antibiotic A 5196; Bleomycin A5196; Bleomycin-A5196
• Molecular Formula: C₆₄H₉₉ClN₂₀O₂₁S₂
• Molecular Weight: 1584.18
• CAS Registry Number: 58071-32-2
• 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=NC(=CS6)C(=O)NCCCNCCCN=C(N)CC7CCC(Cl)CC7)C
• InChI: 1S/C64H99ClN20O21S2/c1-26-42(82-55(85-53(26)69)33(18-40(68)89)77-19-32(66)54(70)95)59(99)84-44(50(34-20-73-25-78-34)104-63-52(48(93)46(91)37(21-86)103-63)105-62-49(94)51(106-64(71)101)47(92)38(22-87)102-62)60(100)79-28(3)45(90)27(2)56(96)83-43(29(4)88)58(98)76-16-11-41-80-36(24-107-41)61-81-35(23-108-61)57(97)75-15-6-13-72-12-5-14-74-39(67)17-30-7-9-31(65)10-8-30/h20,23-25,27-33,37-38,43-52,62-63,72,77,86-88,90-94H,5-19,21-22,66H2,1-4H3,(H2,67,74)(H2,68,89)(H2,70,95)(H2,71,101)(H,73,78)(H,75,97)(H,76,98)(H,79,100)(H,83,96)(H,84,99)(H2,69,82,85)
• InChIKey: IPUPASGXCCCXGQ-UHFFFAOYSA-N

Properties

• Density: 1.711g/cm³ (Cal.)