Cyclo(2,3-didehydroalanyl-L-alanyl-(2S)-2-hydroxy-3-methylbutanoyl-5-(4-methoxyphenyl)-L-norvalyl)
[CAS# 53193-10-5]

Identification

• Name: Cyclo(2,3-didehydroalanyl-L-alanyl-(2S)-2-hydroxy-3-methylbutanoyl-5-(4-methoxyphenyl)-L-norvalyl)
• Synonyms: (3S,9S,12S)-12-Isopropyl-9-[3-(4-Methoxyphenyl)Propyl]-3-Methyl-6-Methylene-1-Oxa-4,7,10-Triazacyclododecane-2,5,8,11-Tetrone; (3S,9S,12S)-12-Isopropyl-9-[3-(4-Methoxyphenyl)Propyl]-3-Methyl-6-Methylene-1-Oxa-4,7,10-Triazacyclododecane-2,5,8,11-Diquinone; Cyclo(2,3-Didehydroalanyl-L-Alanyl-(2S)-2-Hydroxy-3-Methylbutanoyl-5-(4-Methoxyphenyl)-L-Norvalyl)
• Molecular Formula: C₂₃H₃₁N₃O₆
• Molecular Weight: 445.51
• CAS Registry Number: 53193-10-5 (55070-01-4)
• SMILES: [C@H]1(OC([C@@H](NC(C(NC([C@@H](NC1=O)CCCC2=CC=C(C=C2)OC)=O)=C)=O)C)=O)C(C)C
• InChI: 1S/C23H31N3O6/c1-13(2)19-22(29)26-18(8-6-7-16-9-11-17(31-5)12-10-16)21(28)24-14(3)20(27)25-15(4)23(30)32-19/h9-13,15,18-19H,3,6-8H2,1-2,4-5H3,(H,24,28)(H,25,27)(H,26,29)/t15-,18-,19-/m0/s1
• InChIKey: SYONRRYXABHFOE-SNRMKQJTSA-N

Properties

• Density: 1.209g/cm³ (Cal.)
• Boiling point: 807.656°C at 760 mmHg (Cal.)
• Flash point: 442.254°C (Cal.)