2-(3-Methyl-D-2-hydroxybutanoic acid)-4-L-leucine-7-L-threonine-10-L-leucinecyclosporin A
[CAS# 138240-77-4]

Identification

• Name: 2-(3-Methyl-D-2-hydroxybutanoic acid)-4-L-leucine-7-L-threonine-10-L-leucinecyclosporin A
• Synonyms: (3S,6S,9S,12S,18S,24S,27S,30S,33R)-18-(1-Hydroxyethyl)-21-[(E,1R,2R)-1-Hydroxy-2-Methyl-Hex-4-Enyl]-6,9,12,27,30-Pentaisobutyl-24,33-Diisopropyl-3,7,13,16,22,25,31-Heptamethyl-1-Oxa-4,7,10,13,16,19,22,25,28,31-Decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-Undecone; (3S,6S,9S,12S,18S,24S,27S,30S,33R)-18-(1-Hydroxyethyl)-21-[(E,1R,2R)-1-Hydroxy-2-Methylhex-4-Enyl]-6,9,12,27,30-Pentaisobutyl-24,33-Diisopropyl-3,7,13,16,22,25,31-Heptamethyl-1-Oxa-4,7,10,13,16,19,22,25,28,31-Decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-Undecone; (3S,6S,9S,12S,18S,24S,27S,30S,33R)-18-(1-Hydroxyethyl)-21-[(E,1R,2R)-1-Hydroxy-2-Methyl-Hex-4-Enyl]-3,7,13,16,22,25,31-Heptamethyl-6,9,12,27,30-Pentakis(2-Methylpropyl)-24,33-Di(Propan-2-Yl)-1-Oxa-4,7,10,13,16,19,22,25,28,31-Decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-Undecone
• Molecular Weight: 1247.66
• CAS Registry Number: 138240-77-4
• SMILES: [C@H]1(N(C(=O)[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H](NC(=O)C(N(C(=O)[C@@H](N(C(=O)[C@@H](NC1=O)CC(C)C)C)C(C)C)C)[C@H](O)[C@@H](C\C=C\C)C)[C@H](O)C)C)C)CC(C)C)CC(C)C)C)CC(C)C)C)C(C)C)C)CC(C)C
• InChI: 1S/C64H114N10O14/c1-25-26-27-41(16)53(77)52-58(81)68-50(43(18)75)61(84)69(19)33-49(76)70(20)46(30-36(6)7)56(79)66-44(28-34(2)3)59(82)71(21)47(31-37(8)9)55(78)65-42(17)64(87)88-54(40(14)15)63(86)72(22)48(32-38(10)11)57(80)67-45(29-35(4)5)60(83)73(23)51(39(12)13)62(85)74(52)24/h25-26,34-48,50-54,75,77H,27-33H2,1-24H3,(H,65,78)(H,66,79)(H,67,80)(H,68,81)/b26-25+/t41-,42+,43-,44+,45+,46+,47+,48+,50+,51+,52?,53-,54-/m1/s1
• InChIKey: LIHJQIQNBOBQOY-JSGKDDSNSA-N