Tert-Butyl (2S)-2-[[(Z)-3-[(2-Ethylamino-2-Oxoethyl)Amino]-3-Oxo-1-Phenylprop-1-En-2-Yl]Carbamoyl]Pyrrolidine-1-Carboxylate
[CAS# 125768-11-8]

Identification

• Name: Tert-Butyl (2S)-2-[[(Z)-3-[(2-Ethylamino-2-Oxoethyl)Amino]-3-Oxo-1-Phenylprop-1-En-2-Yl]Carbamoyl]Pyrrolidine-1-Carboxylate
• Synonyms: Tert-Butyl (2S)-2-[[(Z)-1-[(2-Ethylamino-2-Oxo-Ethyl)Carbamoyl]-2-Phenyl-Vinyl]Carbamoyl]Pyrrolidine-1-Carboxylate; (2S)-2-[[[(Z)-1-[[(2-Ethylamino-2-Oxoethyl)Amino]-Oxomethyl]-2-Phenylvinyl]Amino]-Oxomethyl]-1-Pyrrolidinecarboxylic Acid Tert-Butyl Ester; (2S)-2-[[(Z)-1-[(2-Ethylamino-2-Keto-Ethyl)Carbamoyl]-2-Phenyl-Vinyl]Carbamoyl]Pyrrolidine-1-Carboxylic Acid Tert-Butyl Ester
• Molecular Formula: C₂₃H₃₂N₄O₅
• Molecular Weight: 444.53
• CAS Registry Number: 125768-11-8
• SMILES: [C@@H]1(N(C(OC(C)(C)C)=O)CCC1)C(=O)NC(/C(=O)NCC(=O)NCC)=C\C2=CC=CC=C2
• InChI: 1S/C23H32N4O5/c1-5-24-19(28)15-25-20(29)17(14-16-10-7-6-8-11-16)26-21(30)18-12-9-13-27(18)22(31)32-23(2,3)4/h6-8,10-11,14,18H,5,9,12-13,15H2,1-4H3,(H,24,28)(H,25,29)(H,26,30)/b17-14-/t18-/m0/s1
• InChIKey: YVPSQTILRMLJPC-DNKLCNGGSA-N

Properties

• Density: 1.201g/cm³ (Cal.)
• Boiling point: 749.374°C at 760 mmHg (Cal.)
• Flash point: 407.007°C (Cal.)