Methyl 3-Methyl-2-[[(Z)-2-[[2-[(2-Methylpropan-2-Yl)Oxycarbonylamino]-3-Phenylpropanoyl]Amino]-3-Phenylprop-2-Enoyl]Amino]Butanoate
[CAS# 110771-17-0]

Identification

• Name: Methyl 3-Methyl-2-[[(Z)-2-[[2-[(2-Methylpropan-2-Yl)Oxycarbonylamino]-3-Phenylpropanoyl]Amino]-3-Phenylprop-2-Enoyl]Amino]Butanoate
• Synonyms: Methyl 2-[[(Z)-2-[[2-(Tert-Butoxycarbonylamino)-3-Phenyl-Propanoyl]Amino]-3-Phenyl-Prop-2-Enoyl]Amino]-3-Methyl-Butanoate; 2-[[(Z)-2-[[2-[(Tert-Butoxy-Oxomethyl)Amino]-1-Oxo-3-Phenylpropyl]Amino]-1-Oxo-3-Phenylprop-2-Enyl]Amino]-3-Methylbutanoic Acid Methyl Ester; 2-[[(Z)-2-[[2-(Tert-Butoxycarbonylamino)-3-Phenyl-Propanoyl]Amino]-3-Phenyl-Acryloyl]Amino]-3-Methyl-Butyric Acid Methyl Ester
• Molecular Formula: C₂₉H₃₇N₃O₆
• Molecular Weight: 523.63
• CAS Registry Number: 110771-17-0
• SMILES: C2=C(/C=C(NC(C(NC(=O)OC(C)(C)C)CC1=CC=CC=C1)=O)/C(=O)NC(C(C)C)C(OC)=O)C=CC=C2
• InChI: 1S/C29H37N3O6/c1-19(2)24(27(35)37-6)32-26(34)22(17-20-13-9-7-10-14-20)30-25(33)23(18-21-15-11-8-12-16-21)31-28(36)38-29(3,4)5/h7-17,19,23-24H,18H2,1-6H3,(H,30,33)(H,31,36)(H,32,34)/b22-17-
• InChIKey: DYCVSWARECFBGS-XLNRJJMWSA-N

Properties

• Density: 1.161g/cm³ (Cal.)
• Boiling point: 758.39°C at 760 mmHg (Cal.)
• Flash point: 412.459°C (Cal.)