N-{(3S,4S,6R)-6-Formyl-10-Hydroxy-7-(2-Hydroxy-3-Methylbutanoyl)-3,8,8,11-Tetramethyl-4-(Methylamino)-7-[(2S,3S)-3-Methyl-2-(Methylamino)Pentanoyl]-5,9-Dioxo-1-Dodecen-6-Yl}-2-Hydroxy-N,3-Dimethylbuta Namide
[CAS# 144446-20-8]

Identification

• Name: N-{(3S,4S,6R)-6-Formyl-10-Hydroxy-7-(2-Hydroxy-3-Methylbutanoyl)-3,8,8,11-Tetramethyl-4-(Methylamino)-7-[(2S,3S)-3-Methyl-2-(Methylamino)Pentanoyl]-5,9-Dioxo-1-Dodecen-6-Yl}-2-Hydroxy-N,3-Dimethylbuta Namide
• Synonyms: Cyclo(hiv-Me-leu-hiv-Me-ile-hiv-Me-ile); Enniatin A, 2-(N-methyl-L-leucine)-
• Molecular Formula: C₃₆H₆₃N₃O₉
• Molecular Weight: 681.90
• CAS Registry Number: 144446-20-8
• SMILES: O=C(N([C@](C=O)(C(=O)[C@@H](NC)[C@H](\C=C)C)C(C(=O)[C@@H](NC)[C@@H](C)CC)(C(=O)C(O)C(C)C)C(C(=O)C(O)C(C)C)(C)C)C)C(O)C(C)C
• InChI: 1S/C36H63N3O9/c1-16-22(9)24(37-13)29(44)35(18-40,39(15)33(48)28(43)21(7)8)36(32(47)27(42)20(5)6,30(45)25(38-14)23(10)17-2)34(11,12)31(46)26(41)19(3)4/h16,18-28,37-38,41-43H,1,17H2,2-15H3/t22-,23-,24-,25-,26?,27?,28?,35+,36?/m0/s1
• InChIKey: GWWBZXAXHGJDAW-UAGUYINHSA-N

Properties

• Density: 1.096g/cm³ (Cal.)
• Boiling point: 800.568°C at 760 mmHg (Cal.)
• Flash point: 437.968°C (Cal.)
• Refractive index: 1.503 (Cal.)