Cycloleonurinin
[CAS# 135447-56-2]

Identification

• Name: Cycloleonurinin
• Molecular Formula: C₆₅H₈₅N₁₃O₁₈
• Molecular Weight: 1336.46
• CAS Registry Number: 135447-56-2
• SMILES: [C@@H]18N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]6N(C(=O)CNC(=O)[C@@H](NC(=O)[C@H]5N(C(=O)C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C1=O)CCC2)CC3=CC=C(O)C=C3)CC4=CC=C(O)C=C4)[C@H](O)C)CCC5)C)CCC6)[C@H](O)C)CCC(=O)N)CC7=CC=C(O)C=C7)CCC8
• InChI: 1S/C65H85N13O18/c1-34-55(86)67-33-52(85)75-26-4-8-47(75)61(92)73-53(35(2)79)62(93)69-43(24-25-51(66)84)56(87)72-46(32-39-16-22-42(83)23-17-39)63(94)78-29-7-11-50(78)64(95)76-27-5-10-49(76)60(91)71-44(30-37-12-18-40(81)19-13-37)57(88)70-45(31-38-14-20-41(82)21-15-38)58(89)74-54(36(3)80)65(96)77-28-6-9-48(77)59(90)68-34/h12-23,34-36,43-50,53-54,79-83H,4-11,24-33H2,1-3H3,(H2,66,84)(H,67,86)(H,68,90)(H,69,93)(H,70,88)(H,71,91)(H,72,87)(H,73,92)(H,74,89)/t34-,35+,36+,43-,44-,45-,46-,47-,48-,49-,50-,53-,54?/m0/s1
• InChIKey: KGOVKRHETJWBCR-RBJHRMQTSA-N