Cyclo(O-methyltyrosine-L-isoleucine-L-pipecolic acid-2-amino-8-oxo-9,10-epoxydecanoic acid)
[CAS# 42002-26-6]

Identification

• Name: Cyclo(O-methyltyrosine-L-isoleucine-L-pipecolic acid-2-amino-8-oxo-9,10-epoxydecanoic acid)
• Synonyms: (6R,9S,12S)-6-[(4-Methoxyphenyl)Methyl]-9-[6-(Oxiran-2-Yl)-6-Oxo-Hexyl]-3-Sec-Butyl-1,4,7,10-Tetrazabicyclo[10.4.0]Hexadecane-2,5,8,11-Tetrone; (6R,9S,12S)-6-[(4-Methoxyphenyl)Methyl]-9-[6-(2-Oxiranyl)-6-Oxohexyl]-3-Sec-Butyl-1,4,7,10-Tetrazabicyclo[10.4.0]Hexadecane-2,5,8,11-Tetrone; (6R,9S,12S)-9-[6-Keto-6-(Oxiran-2-Yl)Hexyl]-6-(4-Methoxybenzyl)-3-Sec-Butyl-1,4,7,10-Tetrazabicyclo[10.4.0]Hexadecane-2,5,8,11-Diquinone
• Molecular Formula: C₃₂H₄₆N₄O₇
• Molecular Weight: 598.74
• CAS Registry Number: 42002-26-6
• SMILES: [C@@H]14N(C(=O)C(NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CCCCCC(=O)C2OC2)CC3=CC=C(OC)C=C3)[C@H](CC)C)CCCC4
• InChI: 1S/C32H46N4O7/c1-4-20(2)28-32(41)36-17-9-8-11-25(36)31(40)33-23(10-6-5-7-12-26(37)27-19-43-27)29(38)34-24(30(39)35-28)18-21-13-15-22(42-3)16-14-21/h13-16,20,23-25,27-28H,4-12,17-19H2,1-3H3,(H,33,40)(H,34,38)(H,35,39)/t20-,23-,24+,25-,27?,28?/m0/s1
• InChIKey: WANLLPADDCXPGO-WMKJBNATSA-N

Properties

• Density: 1.236g/cm³ (Cal.)
• Boiling point: 898.735°C at 760 mmHg (Cal.)
• Flash point: 497.337°C (Cal.)