Cyclo[2-Methylalanyl-L-Phenylalanyl-D-Prolyl-(alphas,2S)-alpha-Amino-H-Oxo-2-Oxiraneoctanoyl]
[CAS# 53342-16-8]

Identification

• Name: Cyclo[2-Methylalanyl-L-Phenylalanyl-D-Prolyl-(alphas,2S)-alpha-Amino-H-Oxo-2-Oxiraneoctanoyl]
• Synonyms: (3S,9S,12R)-6,6-Dimethyl-9-[6-[(2S)-Oxiran-2-Yl]-6-Oxo-Hexyl]-3-(Phenylmethyl)-1,4,7,10-Tetrazabicyclo[10.3.0]Pentadecane-2,5,8,11-Tetrone; (3S,9S,12R)-6,6-Dimethyl-9-[6-[(2S)-2-Oxiranyl]-6-Oxohexyl]-3-(Phenylmethyl)-1,4,7,10-Tetrazabicyclo[10.3.0]Pentadecane-2,5,8,11-Tetrone; (3S,9S,12R)-3-(Benzyl)-9-[6-Keto-6-[(2S)-Oxiran-2-Yl]Hexyl]-6,6-Dimethyl-1,4,7,10-Tetrazabicyclo[10.3.0]Pentadecane-2,5,8,11-Diquinone
• Molecular Formula: C₂₈H₃₈N₄O₆
• Molecular Weight: 526.63
• CAS Registry Number: 53342-16-8
• SMILES: [C@@H]12N(CCC1)C([C@@H](NC(C(NC([C@@H](NC2=O)CCCCCC(=O)[C@H]3OC3)=O)(C)C)=O)CC4=CC=CC=C4)=O
• InChI: 1S/C28H38N4O6/c1-28(2)27(37)30-20(16-18-10-5-3-6-11-18)26(36)32-15-9-13-21(32)25(35)29-19(24(34)31-28)12-7-4-8-14-22(33)23-17-38-23/h3,5-6,10-11,19-21,23H,4,7-9,12-17H2,1-2H3,(H,29,35)(H,30,37)(H,31,34)/t19-,20-,21+,23-/m0/s1
• InChIKey: SGYJGGKDGBXCNY-QXUYBEEESA-N

Properties

• Density: 1.272g/cm³ (Cal.)
• Boiling point: 861.757°C at 760 mmHg (Cal.)
• Flash point: 474.973°C (Cal.)