(2R)-4-(1,3-Dioxo-1,3-Dihydro-2H-Benzo[F]Isoindol-2-Yl)-2-({(2S)-4-Methyl-1-[(N-Methyl-L-Phenylalanyl)Amino]-1-Oxo-2-Pentanyl}Amino)Butanoic Acid

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Properties Simple | Detailed

Formula C24H16N4O6
IUPAC Name (2r)-4-(1,3-dioxobenzo[f]isoindol-2-yl)-2-[[(2s)-4-methyl-1-[[(2s)-2-methylamino-3-phenylpropanoyl]amino]-1-oxopentan-2-yl]amino]butanoic acid
Molecular Mass 456.407 g·mol−1
Heat of Formation -892.8 ± 16.7 kJ·mol−1
Dipole Moment 3.27 ± 1.08 D
Volume 686.91 Å 3
Surface Area 538.11 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-4-(1,3-diketobenzo[f]isoindol-2-yl)-2-[[(1s)-3-methyl-1-[[(2s)-2-methylamino-3-phenyl-propanoyl]carbamoyl]butyl]amino]butyric acid
  • (2r)-4-(1,3-dioxo-2-benzo[f]isoindolyl)-2-[[(1s)-3-methyl-1-[[[(2s)-2-methylamino-1-oxo-3-phenylpropyl]amino]-oxomethyl]butyl]amino]butanoic acid
  • (2r)-4-(1,3-dioxobenzo[f]isoindol-2-yl)-2-[[(1s)-3-methyl-1-[[(2s)-2-methylamino-3-phenyl-propanoyl]carbamoyl]butyl]amino]butanoic acid
  • (2r)-4-(1,3-dioxobenzo[f]isoindol-2-yl)-2-[[(2s)-4-methyl-1-[[(2s)-2-methylamino-3-phenyl-propanoyl]amino]-1-oxo-pentan-2-yl]amino]butanoic acid
  • (n-(1-carboxy-3-(1,3-dihydro-1,3-dioxo-2h-benz(f)isoindol-2-yl)propyl)-leucyl)-n-methyl-phenylalaninamide
  • cddbip-leu-phe-nh2
CAS Number(s)
  • 154296-67-0
InChIKey VCEJALSBINQHFE-PVHODMMVSA-N
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