Methyl (2R)-2-[(5S)-5-[(5S)-5-[(2S,3S)-2-Hydroxy-3-[[(3S)-Oxolan-3-Yl]Oxycarbonylamino]-4-Phenylbutyl]-4-Oxo-5-(Phenylmethyl)-1H-Pyrrol-3-Yl]-5-(2-Methylpropyl)-4-Oxo-1H-Pyrrol-3-Yl]-3-Phenylpropanoate
[CAS# 173091-94-6]

Identification

• Name: Methyl (2R)-2-[(5S)-5-[(5S)-5-[(2S,3S)-2-Hydroxy-3-[[(3S)-Oxolan-3-Yl]Oxycarbonylamino]-4-Phenylbutyl]-4-Oxo-5-(Phenylmethyl)-1H-Pyrrol-3-Yl]-5-(2-Methylpropyl)-4-Oxo-1H-Pyrrol-3-Yl]-3-Phenylpropanoate
• Synonyms: Methyl (2R)-2-[(5S)-5-[(5S)-5-[(2S,3S)-2-Hydroxy-4-Phenyl-3-[[(3S)-Tetrahydrofuran-3-Yl]Oxycarbonylamino]Butyl]-4-Oxo-5-(Phenylmethyl)-1H-Pyrrol-3-Yl]-5-Isobutyl-4-Oxo-1H-Pyrrol-3-Yl]-3-Phenyl-Propanoate; (2R)-2-[(5S)-5-[(5S)-5-[(2S,3S)-2-Hydroxy-3-[[Oxo-[[(3S)-3-Tetrahydrofuranyl]Oxy]Methyl]Amino]-4-Phenylbutyl]-4-Oxo-5-(Phenylmethyl)-1H-Pyrrol-3-Yl]-5-Isobutyl-4-Oxo-1H-Pyrrol-3-Yl]-3-Phenylpropanoic Acid Methyl Ester; (2R)-2-[(5S)-5-[(5S)-5-(Benzyl)-5-[(2S,3S)-2-Hydroxy-4-Phenyl-3-[[(3S)-Tetrahydrofuran-3-Yl]Oxycarbonylamino]Butyl]-4-Keto-2-Pyrrolin-3-Yl]-5-Isobutyl-4-Keto-2-Pyrrolin-3-Yl]-3-Phenyl-Propionic Acid Methyl Ester
• Molecular Formula: C₄₄H₅₁N₃O₈
• Molecular Weight: 749.90
• CAS Registry Number: 173091-94-6
• SMILES: [C@@]1(NC=C(C1=O)[C@H](C(OC)=O)CC2=CC=CC=C2)(C3=CN[C@](C3=O)(C[C@H](O)[C@@H](NC(O[C@@H]4COCC4)=O)CC5=CC=CC=C5)CC6=CC=CC=C6)CC(C)C
• InChI: 1S/C44H51N3O8/c1-29(2)23-44(39(49)35(26-46-44)34(41(51)53-3)21-30-13-7-4-8-14-30)36-27-45-43(40(36)50,24-32-17-11-6-12-18-32)25-38(48)37(22-31-15-9-5-10-16-31)47-42(52)55-33-19-20-54-28-33/h4-18,26-27,29,33-34,37-38,45-46,48H,19-25,28H2,1-3H3,(H,47,52)/t33-,34+,37-,38-,43-,44-/m0/s1
• InChIKey: DDCHQWDCCSZNBL-ZWZNEORPSA-N

Properties

• Density: 1.276g/cm³ (Cal.)
• Boiling point: 906.286°C at 760 mmHg (Cal.)
• Flash point: 501.904°C (Cal.)