Dodeca-Valinomycin
[CAS# 13507-80-7]

Identification

• Name: Dodeca-Valinomycin
• Synonyms: (3S,6S,9R,12R,15S,18S,21R,24R,27S,30S,33R,36R)-3,6,9,12,15,18,21,24,27,30,33,36-Dodecaisopropyl-1,7,13,19,25,31-Hexaoxa-4,10,16,22,28,34-Hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-Dodecone; (3S,6S,9R,12R,15S,18S,21R,24R,27S,30S,33R,36R)-3,6,9,12,15,18,21,24,27,30,33,36-Dodecaisopropyl-1,7,13,19,25,31-Hexaoxa-4,10,16,22,28,34-Hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-Hexaquinone; Dodeca-Valinomycin
• Molecular Formula: C₆₀H₁₀₂N₆O₁₈
• Molecular Weight: 1195.50
• CAS Registry Number: 13507-80-7
• SMILES: [C@H]1(OC(=O)[C@H](NC(=O)[C@H](OC(=O)[C@@H](NC(=O)[C@@H](OC(=O)[C@H](NC(=O)[C@H](OC(=O)[C@@H](NC(=O)[C@@H](OC(=O)[C@H](NC(=O)[C@H](OC(=O)[C@@H](NC1=O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C
• InChI: 1S/C60H102N6O18/c1-25(2)37-55(73)79-44(32(15)16)50(68)62-39(27(5)6)57(75)81-46(34(19)20)52(70)64-41(29(9)10)59(77)83-48(36(23)24)54(72)66-42(30(11)12)60(78)84-47(35(21)22)53(71)65-40(28(7)8)58(76)82-45(33(17)18)51(69)63-38(26(3)4)56(74)80-43(31(13)14)49(67)61-37/h25-48H,1-24H3,(H,61,67)(H,62,68)(H,63,69)(H,64,70)(H,65,71)(H,66,72)/t37-,38+,39+,40-,41-,42+,43-,44+,45+,46-,47-,48+
• InChIKey: GJZHKZVXVJEVDQ-MKGXFTDSSA-N