N1-(20-Amino-6,13,20-Triimino-5,7,12,14,19-Pentaazaeicos-1-Yl)-Bleomycinamide
[CAS# 73666-80-5]

Identification

• Name: N1-(20-Amino-6,13,20-Triimino-5,7,12,14,19-Pentaazaeicos-1-Yl)-Bleomycinamide
• Synonyms: N1-(20-Amino-6,13,20-Triimino-5,7,12,14,19-Pentaazaeicos-1-Yl)Bleomycinamide; Bleomycin B6
• Molecular Formula: C₆₅H₁₀₆N₂₆O₂₁S₂
• Molecular Weight: 1651.83
• CAS Registry Number: 73666-80-5
• SMILES: [C@@H]2(O[C@@H]1O[C@H]([C@H](O)[C@@H](OC(=O)N)[C@H]1O)CO)[C@H](O)[C@@H](O)[C@H](OC2O[C@H]([C@@H](NC(=O)C3=C(C(=NC(=N3)C(NC[C@H](N)C(=O)N)CC(=O)N)N)C)C(=O)NC([C@H](O)[C@@H](C)C(=O)N[C@H]([C@H](O)C)C(=O)NCCC4=NC(=CS4)C5=NC(=CS5)C(=O)NCCCCNC(=NCCCCNC(=NCCCCN=C(N)N)N)N)C)C6=CN=C[NH]6)CO
• InChI: 1S/C65H106N26O21S2/c1-27-40(88-53(91-51(27)68)32(19-38(67)95)83-20-31(66)52(69)101)57(105)90-42(48(33-21-75-26-84-33)110-61-50(46(99)44(97)36(22-92)109-61)111-60-47(100)49(112-65(74)107)45(98)37(23-93)108-60)58(106)85-29(3)43(96)28(2)54(102)89-41(30(4)94)56(104)77-18-11-39-86-35(25-113-39)59-87-34(24-114-59)55(103)76-12-5-7-14-79-63(72)81-16-9-10-17-82-64(73)80-15-8-6-13-78-62(70)71/h21,24-26,28-32,36-37,41-50,60-61,83,92-94,96-100H,5-20,22-23,66H2,1-4H3,(H2,67,95)(H2,69,101)(H2,74,107)(H,75,84)(H,76,103)(H,77,104)(H,85,106)(H,89,102)(H,90,105)(H2,68,88,91)(H4,70,71,78)(H3,72,79,81)(H3,73,80,82)/t28-,29?,30-,31+,32?,36-,37+,41-,42-,43-,44+,45+,46-,47-,48+,49-,50-,60+,61?/m1/s1
• InChIKey: FQIIXMIZZHEDLO-ZFYRMMMWSA-N

Properties

• Density: 1.712g/cm³ (Cal.)