2-[[(Z)-2-[[(2S)-1-[(2-Methylpropan-2-Yl)Oxycarbonyl]Pyrrolidine-2-Carbonyl]Amino]-3-Phenylprop-2-Enoyl]Amino]Acetic Acid
[CAS# 129119-97-7]

Identification

• Name: 2-[[(Z)-2-[[(2S)-1-[(2-Methylpropan-2-Yl)Oxycarbonyl]Pyrrolidine-2-Carbonyl]Amino]-3-Phenylprop-2-Enoyl]Amino]Acetic Acid
• Synonyms: 2-[[(Z)-2-[[(2S)-1-Tert-Butoxycarbonylpyrrolidine-2-Carbonyl]Amino]-3-Phenyl-Prop-2-Enoyl]Amino]Acetic Acid; 2-[[(Z)-2-[[[(2S)-1-(Tert-Butoxy-Oxomethyl)-2-Pyrrolidinyl]-Oxomethyl]Amino]-1-Oxo-3-Phenylprop-2-Enyl]Amino]Acetic Acid; 2-[[(Z)-2-[[(2S)-1-Tert-Butoxycarbonylpyrrolidine-2-Carbonyl]Amino]-3-Phenyl-Acryloyl]Amino]Acetic Acid
• Molecular Formula: C₂₁H₂₇N₃O₆
• Molecular Weight: 417.46
• CAS Registry Number: 129119-97-7
• SMILES: [C@@H]1(N(C(OC(C)(C)C)=O)CCC1)C(=O)NC(/C(=O)NCC(=O)O)=C\C2=CC=CC=C2
• InChI: 1S/C21H27N3O6/c1-21(2,3)30-20(29)24-11-7-10-16(24)19(28)23-15(18(27)22-13-17(25)26)12-14-8-5-4-6-9-14/h4-6,8-9,12,16H,7,10-11,13H2,1-3H3,(H,22,27)(H,23,28)(H,25,26)/b15-12-/t16-/m0/s1
• InChIKey: KFICWGRINAFFES-IRVMHKCDSA-N

Properties

• Density: 1.281g/cm³ (Cal.)
• Boiling point: 720.849°C at 760 mmHg (Cal.)
• Flash point: 389.756°C (Cal.)