(E)-6-Methyl-N-[(3S,7S,10S)-7-Methyl-3-(2-Methylpropyl)-2,5,6,9-Tetraoxo-1,4,8-Triazacyclotridec-10-Yl]Hept-2-Enamide
[CAS# 137563-63-4]

Identification

• Name: (E)-6-Methyl-N-[(3S,7S,10S)-7-Methyl-3-(2-Methylpropyl)-2,5,6,9-Tetraoxo-1,4,8-Triazacyclotridec-10-Yl]Hept-2-Enamide
• Synonyms: (E)-N-[(3S,7S,10S)-3-Isobutyl-7-Methyl-2,5,6,9-Tetraoxo-1,4,8-Triazacyclotridec-10-Yl]-6-Methyl-Hept-2-Enamide; (E)-N-[(3S,7S,10S)-3-Isobutyl-7-Methyl-2,5,6,9-Tetraoxo-1,4,8-Triazacyclotridec-10-Yl]-6-Methylhept-2-Enamide; (E)-N-[(3S,7S,10S)-3-Isobutyl-2,5,6,9-Tetraketo-7-Methyl-1,4,8-Triazacyclotridec-10-Yl]-6-Methyl-Hept-2-Enamide
• Molecular Formula: C₂₃H₃₈N₄O₅
• Molecular Weight: 450.58
• CAS Registry Number: 137563-63-4
• SMILES: [C@H]1(NC(=O)[C@@H](NC(=O)\C=C\CCC(C)C)CCCNC(=O)[C@@H](NC(=O)C1=O)CC(C)C)C
• InChI: 1S/C23H38N4O5/c1-14(2)9-6-7-11-19(28)26-17-10-8-12-24-21(30)18(13-15(3)4)27-23(32)20(29)16(5)25-22(17)31/h7,11,14-18H,6,8-10,12-13H2,1-5H3,(H,24,30)(H,25,31)(H,26,28)(H,27,32)/b11-7+/t16-,17-,18-/m0/s1
• InChIKey: LUORGXVDSLVJSV-FTDILOGSSA-N

Properties

• Density: 1.132g/cm³ (Cal.)