N-{[3-(Carboxymethyl)Phenyl]Carbamoyl}Glycyl-N-Methyl-N,N~2~-Diphenylglycinamide

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Properties Simple | Detailed

Formula C26H26N4O5
IUPAC Name 2-[3-[[2-(n-[2-(n-methylanilino)-2-oxo-ethyl]anilino)-2-oxo-ethyl]carbamoylamino]phenyl]acetic acid
Molecular Mass 474.508 g·mol−1
Heat of Formation 229.3 ± 16.7 kJ·mol−1
Dipole Moment 5.27 ± 1.08 D
Volume 567.53 Å 3
Surface Area 461.81 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[3-[[2-[[2-(methyl-phenyl-amino)-2-oxo-ethyl]-phenyl-amino]-2-oxo-ethyl]carbamoylamino]phenyl]acetic acid
  • 2-[3-[[2-[[2-(methyl-phenyl-amino)-2-oxo-ethyl]-phenyl-amino]-2-oxo-ethyl]carbamoylamino]phenyl]ethanoic acid
  • 2-[3-[[2-[[2-(methyl-phenylamino)-2-oxoethyl]-phenylamino]-2-oxoethyl]carbamoylamino]phenyl]acetic acid
  • 2-[3-[[2-keto-2-[[2-keto-2-(methyl-phenyl-amino)ethyl]-phenyl-amino]ethyl]carbamoylamino]phenyl]acetic acid
  • 2-[3-[[[[2-[[2-(methyl-phenylamino)-2-oxoethyl]-phenylamino]-2-oxoethyl]amino]-oxomethyl]amino]phenyl]acetic acid
InChIKey CRUWRCOXWORZBA-UHFFFAOYSA-N
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