(2S)-2-[[(2S)-2-Dimethylamino-3-Methylbutanoyl]Amino]-N-[(3R,4R,5S)-3-Methoxy-1-[(2S)-2-[(1R,2R)-1-Methoxy-2-Methyl-3-Oxo-3-(2-Phenylethylamino)Propyl]Pyrrolidin-1-Yl]-5-Methyl-1-Oxoheptan-4-Yl]-N,3-Dimethylbutanamide
[CAS# 149606-27-9]

Identification

• Name: (2S)-2-[[(2S)-2-Dimethylamino-3-Methylbutanoyl]Amino]-N-[(3R,4R,5S)-3-Methoxy-1-[(2S)-2-[(1R,2R)-1-Methoxy-2-Methyl-3-Oxo-3-(2-Phenylethylamino)Propyl]Pyrrolidin-1-Yl]-5-Methyl-1-Oxoheptan-4-Yl]-N,3-Dimethylbutanamide
• Synonyms: (2S)-2-[[(2S)-2-Dimethylamino-3-Methyl-Butanoyl]Amino]-N-[(1R,2R)-2-Methoxy-4-[(2S)-2-[(1R,2R)-1-Methoxy-2-Methyl-3-Oxo-3-(2-Phenylethylamino)Propyl]Pyrrolidin-1-Yl]-4-Oxo-1-Sec-Butyl-Butyl]-N,3-Dimethyl-Butanamide; (2S)-2-[[(2S)-2-Dimethylamino-3-Methyl-1-Oxobutyl]Amino]-N-[(1R,2R)-2-Methoxy-4-[(2S)-2-[(1R,2R)-1-Methoxy-2-Methyl-3-Oxo-3-(2-Phenylethylamino)Propyl]-1-Pyrrolidinyl]-4-Oxo-1-Sec-Butylbutyl]-N,3-Dimethylbutanamide; (2S)-2-[[(2S)-2-Dimethylamino-3-Methyl-Butanoyl]Amino]-N-[(1R,2R)-4-Keto-4-[(2S)-2-[(1R,2R)-3-Keto-1-Methoxy-2-Methyl-3-(2-Phenylethylamino)Propyl]Pyrrolidin-1-Yl]-2-Methoxy-1-Sec-Butyl-Butyl]-N,3-Dimethyl-Butyramide
• Molecular Formula: C₃₉H₆₇N₅O₆
• Molecular Weight: 701.99
• CAS Registry Number: 149606-27-9
• SMILES: [C@@H]1(N(C(=O)C[C@@H](OC)[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](N(C)C)C(C)C)C(C)C)C)[C@H](CC)C)CCC1)[C@H](OC)[C@H](C(=O)NCCC2=CC=CC=C2)C
• InChI: 1S/C39H67N5O6/c1-13-27(6)35(43(10)39(48)33(25(2)3)41-38(47)34(26(4)5)42(8)9)31(49-11)24-32(45)44-23-17-20-30(44)36(50-12)28(7)37(46)40-22-21-29-18-15-14-16-19-29/h14-16,18-19,25-28,30-31,33-36H,13,17,20-24H2,1-12H3,(H,40,46)(H,41,47)/t27-,28+,30-,31+,33-,34-,35+,36+/m0/s1
• InChIKey: DZMVCVHATYROOS-WFBPEDSISA-N

Properties

• Density: 1.065g/cm³ (Cal.)
• Boiling point: 843.388°C at 760 mmHg (Cal.)
• Flash point: 463.864°C (Cal.)