Saframycin Y2b
[CAS# 107140-34-1]

Identification

• Name: Saframycin Y2b
• Synonyms: Saframycin Y2-B; Saframycin Y2b
• Molecular Formula: C₅₈H₆₄N₁₀O₁₄
• Molecular Weight: 1125.20
• CAS Registry Number: 107140-34-1
• SMILES: [C@@H]19N([C@@H]([C@@H](N2[C@H]1CC3=C([C@@H]2CNC(=O)[C@@H](N)C)C(=O)C(=C(C3=O)C)OC)C#N)[C@@H](N[C@H](C(=O)NC[C@@H]7N4[C@H]([C@H]5N([C@@H]([C@@H]4C#N)CC6=C5C(=O)C(=C(C6=O)C)OC)C)CC8=C7C(=O)C(=C(C8=O)C)OC)C)C%10=C9C(=O)C(=C(C%10=O)C)OC)C
• InChI: 1S/C58H64N10O14/c1-20-45(69)26-14-30-42-38-28(47(71)22(3)55(81-11)51(38)75)13-29(65(42)7)32(16-59)67(30)34(36(26)49(73)53(20)79-9)19-63-58(78)25(6)64-41-39-40(52(76)56(82-12)23(4)48(39)72)43-31-15-27-37(50(74)54(80-10)21(2)46(27)70)35(18-62-57(77)24(5)61)68(31)33(17-60)44(41)66(43)8/h24-25,29-35,41-44,64H,13-15,18-19,61H2,1-12H3,(H,62,77)(H,63,78)/t24-,25-,29+,30-,31-,32-,33-,34-,35-,41-,42+,43+,44-/m0/s1
• InChIKey: HYDKDPMTUAFIPY-LGMIRFABSA-N