Methyl (7R,12R)-3,6,13-trioxo-7,12-bis[(trifluoroacetyl)amino]-2-oxa-9,10-dithia-5,14-diazahexadecan-16-oate
[CAS# 89422-41-3]

Identification

• Name: Methyl (7R,12R)-3,6,13-trioxo-7,12-bis[(trifluoroacetyl)amino]-2-oxa-9,10-dithia-5,14-diazahexadecan-16-oate
• Synonyms: (N-TRIFLUOROACETYL-L-CYSTEINYL)GLYCINEMETHYLESTER,(1-1)DISULPHIDE
• Molecular Formula: C₁₆H₂₀F₆N₄O₈S₂
• Molecular Weight: 574.47
• CAS Registry Number: 89422-41-3
• SMILES: COC(=O)CNC(=O)[C@H](CSSC[C@@H](C(=O)NCC(=O)OC)NC(=O)C(F)(F)F)NC(=O)C(F)(F)F
• InChI: 1S/C16H20F6N4O8S2/c1-33-9(27)3-23-11(29)7(25-13(31)15(17,18)19)5-35-36-6-8(26-14(32)16(20,21)22)12(30)24-4-10(28)34-2/h7-8H,3-6H2,1-2H3,(H,23,29)(H,24,30)(H,25,31)(H,26,32)/t7-,8-/m0/s1
• InChIKey: DITWTAHTOINEDM-YUMQZZPRSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 717.2±60.0°C at 760 mmHg (Cal.)
• Flash point: 387.6±32.9°C (Cal.)