Tert-Butyl N-[2-[[(E)-3-[[3,3-Dimethyl-1-[[(E)-3-[(1-Methylamino-1-Oxopropan-2-Yl)Amino]-3-Oxo-1-Phenylprop-1-En-2-Yl]Amino]-1-Oxobutan-2-Yl]Amino]-3-Oxo-1-Phenylprop-1-En-2-Yl]Amino]-2-Oxoethyl]Carbamate
[CAS# 141695-65-0]

Identification

• Name: Tert-Butyl N-[2-[[(E)-3-[[3,3-Dimethyl-1-[[(E)-3-[(1-Methylamino-1-Oxopropan-2-Yl)Amino]-3-Oxo-1-Phenylprop-1-En-2-Yl]Amino]-1-Oxobutan-2-Yl]Amino]-3-Oxo-1-Phenylprop-1-En-2-Yl]Amino]-2-Oxoethyl]Carbamate
• Synonyms: Tert-Butyl N-[2-[[(E)-1-[[2,2-Dimethyl-1-[[(E)-1-[(1-Methyl-2-Methylamino-2-Oxo-Ethyl)Carbamoyl]-2-Phenyl-Vinyl]Carbamoyl]Propyl]Carbamoyl]-2-Phenyl-Vinyl]Amino]-2-Oxo-Ethyl]Carbamate; N-[2-[[(E)-1-[[[2,2-Dimethyl-1-[[[(E)-1-[[(1-Methyl-2-Methylamino-2-Oxoethyl)Amino]-Oxomethyl]-2-Phenylvinyl]Amino]-Oxomethyl]Propyl]Amino]-Oxomethyl]-2-Phenylvinyl]Amino]-2-Oxoethyl]Carbamic Acid Tert-Butyl Ester; N-[2-Keto-2-[[(E)-1-[[1-[[(E)-1-[(2-Keto-1-Methyl-2-Methylamino-Ethyl)Carbamoyl]-2-Phenyl-Vinyl]Carbamoyl]-2,2-Dimethyl-Propyl]Carbamoyl]-2-Phenyl-Vinyl]Amino]Ethyl]Carbamic Acid Tert-Butyl Ester
• Molecular Formula: C₃₅H₄₆N₆O₇
• Molecular Weight: 662.78
• CAS Registry Number: 141695-65-0
• SMILES: C2=C(\C=C(NC(C(C(C)(C)C)NC(\C(NC(=O)CNC(OC(C)(C)C)=O)=C/C1=CC=CC=C1)=O)=O)/C(NC(C(NC)=O)C)=O)C=CC=C2
• InChI: 1S/C35H46N6O7/c1-22(29(43)36-8)38-30(44)26(20-24-17-13-10-14-18-24)40-32(46)28(34(2,3)4)41-31(45)25(19-23-15-11-9-12-16-23)39-27(42)21-37-33(47)48-35(5,6)7/h9-20,22,28H,21H2,1-8H3,(H,36,43)(H,37,47)(H,38,44)(H,39,42)(H,40,46)(H,41,45)/b25-19+,26-20+
• InChIKey: XRACTWAKUBGPLX-FQHZWJPGSA-N

Properties

• Density: 1.193g/cm³ (Cal.)
• Boiling point: 1009.839°C at 760 mmHg (Cal.)
• Flash point: 564.53°C (Cal.)