Methyl 2-{[5-({3-Chloro-4-[(5S)-1,1-Dioxido-3-Oxo-1,2-Thiazolidin-5-Yl]-N-(Phenylsulfonyl)-L-Phenylalanyl}Amino)Pentyl]Oxy}-6-Hydroxybenzoate

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Properties Simple | Detailed

Formula C31H34ClN3O10S2
IUPAC Name methyl 2-[5-[[(2s)-3-[3-chloro-4-[(5s)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]-2-(phenylsulfonylamino)propanoyl]amino]pentoxy]-6-hydroxy-benzoate
Molecular Mass 708.199 g·mol−1
Heat of Formation -1560.1 ± 16.7 kJ·mol−1
Dipole Moment 5.30 ± 1.08 D
Volume 780.74 Å 3
Surface Area 614.83 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[5-[[(2s)-3-[3-chloro-4-[(5s)-1,1,3-triketo-1,2-thiazolidin-5-yl]phenyl]-2-(phenylsulfonylamino)propanoyl]amino]pentoxy]-6-hydroxy-benzoic acid methyl ester
  • 2-[5-[[(2s)-3-[3-chloro-4-[(5s)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]-1-oxo-2-(phenylsulfonylamino)propyl]amino]pentoxy]-6-hydroxybenzoic acid methyl ester
  • izf
  • methyl 2-[5-[[(2s)-3-[3-chloro-4-[(5s)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]-2-(phenylsulfonylamino)propanoyl]amino]pentoxy]-6-hydroxy-benzoate
InChIKey LZJDVHWALQMKBR-IGKIAQTJSA-N
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