Cyclo[Sar-N-Methyl-L-Leu-L-Val-N-Methyl-L-Leu-L-Ala-D-Ala-N-Methyl-L-Leu-N-Methyl-L-Leu-N-Methyl-L-Val-[[(2S,3R,4R,6E)-3-Hydroxy*-2-Methylamino-4-Methyl-6-Octenoyl]-L-Val-]]
[CAS# 63775-93-9]

Identification

• Name: Cyclo[Sar-N-Methyl-L-Leu-L-Val-N-Methyl-L-Leu-L-Ala-D-Ala-N-Methyl-L-Leu-N-Methyl-L-Leu-N-Methyl-L-Val-[[(2S,3R,4R,6E)-3-Hydroxy*-2-Methylamino-4-Methyl-6-Octenoyl]-L-Val-]]
• Synonyms: 6,9,18,24-Tetratert-Butyl-3,21,30-Triisopropyl-4,7,10,12,15,19,25,28-Octamethyl-33-Methylamino-34-[(E)-1-Methylpent-3-Enyl]-1-Oxa-4,7,10,13,16,19,22,25,28,31-Decazacyclotetratriacontane-2,5,8,11,14,17,20,23,26,29,32-Undecone; Isocyclosporin D
• Molecular Formula: C₆₃H₁₁₃N₁₁O₁₂
• Molecular Weight: 1216.65
• CAS Registry Number: 63775-93-9
• SMILES: C(C(C1OC(=O)C(N(C(=O)C(N(C(=O)C(N(C(=O)C(NC(=O)C(NC(=O)C(N(C(=O)C(NC(=O)C(N(C(=O)CN(C(=O)C(NC(=O)C1NC)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\C
• InChI: 1S/C63H113N11O12/c1-30-31-32-37(8)45-43(64-23)51(77)67-41(34(2)3)55(81)69(24)33-40(75)70(25)46(60(11,12)13)53(79)68-42(35(4)5)56(82)72(27)47(61(14,15)16)52(78)65-38(9)50(76)66-39(10)54(80)73(28)49(63(20,21)22)58(84)74(29)48(62(17,18)19)57(83)71(26)44(36(6)7)59(85)86-45/h30-31,34-39,41-49,64H,32-33H2,1-29H3,(H,65,78)(H,66,76)(H,67,77)(H,68,79)/b31-30+
• InChIKey: HESBXZCEGYUSID-NVQSTNCTSA-N

Properties

• Density: 1.132g/cm³ (Cal.)
• Boiling point: 1267.155°C at 760 mmHg (Cal.)
• Flash point: 720.149°C (Cal.)