2-(Diethylamino)Ethyl N-(2-Chloro-6-Methylbenzoyl)-4-[(2,6-Dichlorobenzoyl)Amino]-L-Phenylalaninate

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Formula C30H32Cl3N3O4
IUPAC Name 2-(diethylamino)ethyl (2s)-2-[(2-chloro-6-methyl-benzoyl)amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate
Molecular Mass 604.952 g·mol−1
Heat of Formation -656.8 ± 16.7 kJ·mol−1
Dipole Moment 7.80 ± 1.08 D
Volume 714.03 Å 3
Surface Area 526.87 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[(2-chloro-6-methyl-benzoyl)amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propionic acid 2-diethylaminoethyl ester
  • (2s)-2-[[(2-chloro-6-methylphenyl)-oxomethyl]amino]-3-[4-[[(2,6-dichlorophenyl)-oxomethyl]amino]phenyl]propanoic acid 2-diethylaminoethyl ester
  • 2-diethylaminoethyl (2s)-2-[(2-chloro-6-methyl-benzoyl)amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate
  • 2-diethylaminoethyl (2s)-2-[(2-chloro-6-methyl-phenyl)carbonylamino]-3-[4-[(2,6-dichlorophenyl)carbonylamino]phenyl]propanoate
InChIKey VZVNFRFMDNFPOM-VWLOTQADSA-N
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Elements H C N O Cl