Berninamycin A
[CAS# 58798-97-3]

Identification

• Name: Berninamycin A
• Molecular Formula: C₅₁H₅₁N₁₅O₁₅S
• Molecular Weight: 1146.12
• CAS Registry Number: 58798-97-3
• SMILES: C1=CC(=NC5=C1C2=NC(=CS2)C(NC(C(NC(/C3=NC(=C(O3)C)C(NC(C(NC(C(NC(C4=NC(=C(O4)C)C(NC(C(NC(C6=NC5=CO6)=C)=O)=C)=O)=C)=O)C(O)(C)C)=O)=C)=O)=C/C)=O)C(O)C)=O)C(NC(C(NC(C(N)=O)=C)=O)=C)=O
• InChI: 1S/C51H51N15O15S/c1-13-28-49-65-34(26(10)81-49)45(76)56-21(5)40(71)66-36(51(11,12)78)46(77)58-23(7)48-64-33(25(9)80-48)44(75)55-20(4)39(70)57-22(6)47-61-30(16-79-47)35-27(50-62-31(17-82-50)42(73)63-32(24(8)67)43(74)60-28)14-15-29(59-35)41(72)54-19(3)38(69)53-18(2)37(52)68/h13-17,24,32,36,67,78H,2-7H2,1,8-12H3,(H2,52,68)(H,53,69)(H,54,72)(H,55,75)(H,56,76)(H,57,70)(H,58,77)(H,60,74)(H,63,73)(H,66,71)/b28-13+
• InChIKey: CAFFHXXVDGAVPH-XODNFHPESA-N

Properties

• Density: 1.52g/cm³ (Cal.)