(2E,4E)-N-[(2S,3R)-3-Hydroxy-1-[[(3Z,5S,8S,10S)-10-Hydroxy-5-Methyl-2,7-Dioxo-1,6-Diazacyclododec-3-En-8-Yl]Amino]-1-Oxobutan-2-Yl]Dodeca-2,4-Dienamide
[CAS# 108351-50-4]

Identification

• Name: (2E,4E)-N-[(2S,3R)-3-Hydroxy-1-[[(3Z,5S,8S,10S)-10-Hydroxy-5-Methyl-2,7-Dioxo-1,6-Diazacyclododec-3-En-8-Yl]Amino]-1-Oxobutan-2-Yl]Dodeca-2,4-Dienamide
• Synonyms: (2E,4E)-N-[(1S,2R)-2-Hydroxy-1-[[(3Z,5S,8S,10S)-10-Hydroxy-5-Methyl-2,7-Dioxo-1,6-Diazacyclododec-3-En-8-Yl]Carbamoyl]Propyl]Dodeca-2,4-Dienamide; (2E,4E)-N-[(1S,2R)-2-Hydroxy-1-[[[(3Z,5S,8S,10S)-10-Hydroxy-5-Methyl-2,7-Dioxo-1,6-Diazacyclododec-3-En-8-Yl]Amino]-Oxomethyl]Propyl]Dodeca-2,4-Dienamide; (2E,4E)-N-[(1S,2R)-2-Hydroxy-1-[[(3Z,5S,8S,10S)-10-Hydroxy-2,7-Diketo-5-Methyl-1,6-Diazacyclododec-3-En-8-Yl]Carbamoyl]Propyl]Dodeca-2,4-Dienamide
• Molecular Formula: C₂₇H₄₄N₄O₆
• Molecular Weight: 520.67
• CAS Registry Number: 108351-50-4
• SMILES: [C@@H]1(NC(=O)[C@@H](NC(=O)\C=C\C=C\CCCCCCC)[C@H](O)C)C(=O)N[C@H](\C=C/C(=O)NCC[C@H](O)C1)C
• InChI: 1S/C27H44N4O6/c1-4-5-6-7-8-9-10-11-12-13-24(35)31-25(20(3)32)27(37)30-22-18-21(33)16-17-28-23(34)15-14-19(2)29-26(22)36/h10-15,19-22,25,32-33H,4-9,16-18H2,1-3H3,(H,28,34)(H,29,36)(H,30,37)(H,31,35)/b11-10+,13-12+,15-14-/t19-,20+,21-,22-,25-/m0/s1
• InChIKey: TYGJUQYJMIOZLZ-QQXADAIISA-N

Properties

• Density: 1.165g/cm³ (Cal.)
• Boiling point: 892.922°C at 760 mmHg (Cal.)
• Flash point: 493.821°C (Cal.)