[(2R,3S)-4-[[(2S)-2-[[(2R,4R)-2,4-Dimethyloctanoyl]-Methylamino]-4-Methylpentanoyl]Amino]-3-[[(2S)-1-[(2S,4S)-4-Hydroxy-2-[(2S)-2-Methyl-5-Oxo2h-Pyrrole-1-Carbonyl]Pyrrolidin-1-Yl]-3-Methyl-1-Oxobutan-2-Yl]-Methylamino]-4-Oxobutan-2-Yl] Acetate
[CAS# 141205-31-4]

Identification

• Name: [(2R,3S)-4-[[(2S)-2-[[(2R,4R)-2,4-Dimethyloctanoyl]-Methylamino]-4-Methylpentanoyl]Amino]-3-[[(2S)-1-[(2S,4S)-4-Hydroxy-2-[(2S)-2-Methyl-5-Oxo2h-Pyrrole-1-Carbonyl]Pyrrolidin-1-Yl]-3-Methyl-1-Oxobutan-2-Yl]-Methylamino]-4-Oxobutan-2-Yl] Acetate
• Synonyms: [(1R,2S)-3-[[(2S)-2-[[(2R,4R)-2,4-Dimethyloctanoyl]-Methyl-Amino]-4-Methyl-Pentanoyl]Amino]-2-[[(1S)-1-[(2S,4S)-4-Hydroxy-2-[(2S)-2-Methyl-5-Oxo-2H-Pyrrole-1-Carbonyl]Pyrrolidine-1-Carbonyl]-2-Methyl-Propyl]-Methyl-Amino]-1-Methyl-3-Oxo-Propyl] Acetate; Acetic Acid [(1R,2S)-3-[[(2S)-2-[[(2R,4R)-2,4-Dimethyl-1-Oxooctyl]-Methylamino]-4-Methyl-1-Oxopentyl]Amino]-2-[[(1S)-1-[[(2S,4S)-4-Hydroxy-2-[[(2S)-2-Methyl-5-Oxo-2H-Pyrrol-1-Yl]-Oxomethyl]-1-Pyrrolidinyl]-Oxomethyl]-2-Methylpropyl]-Methylamino]-1-Methyl-3-Oxopropyl] Ester; Acetic Acid [(1R,2S)-3-[[(2S)-2-[[(2R,4R)-2,4-Dimethyloctanoyl]-Methyl-Amino]-4-Methyl-Pentanoyl]Amino]-2-[[(1S)-1-[(2S,4S)-4-Hydroxy-2-[(5S)-2-Keto-5-Methyl-3-Pyrroline-1-Carbonyl]Pyrrolidine-1-Carbonyl]-2-Methyl-Propyl]-Methyl-Amino]-3-Keto-1-Methyl-Propyl] Ester
• Molecular Formula: C₃₉H₆₅N₅O₉
• Molecular Weight: 747.97
• CAS Registry Number: 141205-31-4
• SMILES: [C@H](C(=O)NC([C@@H](N(C)C([C@@H](C[C@@H](CCCC)C)C)=O)CC(C)C)=O)(N(C)[C@@H](C(C)C)C(=O)N1[C@@H](C[C@@H](C1)O)C(=O)N2[C@H](C=CC2=O)C)[C@@H](C)OC(C)=O
• InChI: 1S/C39H65N5O9/c1-13-14-15-24(6)19-25(7)37(50)41(11)30(18-22(2)3)35(48)40-36(49)34(27(9)53-28(10)45)42(12)33(23(4)5)39(52)43-21-29(46)20-31(43)38(51)44-26(8)16-17-32(44)47/h16-17,22-27,29-31,33-34,46H,13-15,18-21H2,1-12H3,(H,40,48,49)/t24-,25-,26+,27-,29+,30+,31+,33+,34+/m1/s1
• InChIKey: LFFWFYBOECMGHL-PLBHUYDJSA-N

Properties

• Density: 1.148g/cm³ (Cal.)
• Boiling point: 862.535°C at 760 mmHg (Cal.)
• Flash point: 475.444°C (Cal.)