Methyl 3-Methyl-2-[[(E)-4-Methyl-2-[[2-[(2-Methylpropan-2-Yl)Oxycarbonylamino]-3-Phenylpropanoyl]Amino]Pent-2-Enoyl]Amino]Butanoate
[CAS# 129229-16-9]

Identification

• Name: Methyl 3-Methyl-2-[[(E)-4-Methyl-2-[[2-[(2-Methylpropan-2-Yl)Oxycarbonylamino]-3-Phenylpropanoyl]Amino]Pent-2-Enoyl]Amino]Butanoate
• Synonyms: Methyl 2-[[(E)-2-[[2-(Tert-Butoxycarbonylamino)-3-Phenyl-Propanoyl]Amino]-4-Methyl-Pent-2-Enoyl]Amino]-3-Methyl-Butanoate; 2-[[(E)-2-[[2-[(Tert-Butoxy-Oxomethyl)Amino]-1-Oxo-3-Phenylpropyl]Amino]-4-Methyl-1-Oxopent-2-Enyl]Amino]-3-Methylbutanoic Acid Methyl Ester; 2-[[(E)-2-[[2-(Tert-Butoxycarbonylamino)-3-Phenyl-Propanoyl]Amino]-4-Methyl-Pent-2-Enoyl]Amino]-3-Methyl-Butyric Acid Methyl Ester
• Molecular Formula: C₂₆H₃₉N₃O₆
• Molecular Weight: 489.61
• CAS Registry Number: 129229-16-9
• SMILES: C1=C(CC(NC(OC(C)(C)C)=O)C(=O)NC(/C(=O)NC(C(OC)=O)C(C)C)=C/C(C)C)C=CC=C1
• InChI: 1S/C26H39N3O6/c1-16(2)14-19(23(31)29-21(17(3)4)24(32)34-8)27-22(30)20(15-18-12-10-9-11-13-18)28-25(33)35-26(5,6)7/h9-14,16-17,20-21H,15H2,1-8H3,(H,27,30)(H,28,33)(H,29,31)/b19-14+
• InChIKey: NTYARRIYBGBUOG-XMHGGMMESA-N

Properties

• Density: 1.108g/cm³ (Cal.)
• Boiling point: 707.506°C at 760 mmHg (Cal.)
• Flash point: 381.686°C (Cal.)