3,3'-{[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-Dihydroxy-2-Oxo-1,3-Diazepane-1,3-Diyl]Bis(Methylene)}Bis[N-(1,3-Thiazol-2-Yl)Benzamide]

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Properties Simple | Detailed

Formula C41H38N6O5S2
IUPAC Name 3-[[(4r,5s,6s,7r)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[[3-(thiazol-2-ylcarbamoyl)phenyl]methyl]-1,3-diazepan-1-yl]methyl]-n-thiazol-2-yl-benzamide
Molecular Mass 758.908 g·mol−1
Heat of Formation -202.9 ± 16.7 kJ·mol−1
Dipole Moment 1.95 ± 1.08 D
Volume 865.75 Å 3
Surface Area 631.01 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 2.08 ± eV
Point Group Symmetry C1
Synonyms
  • (4r-(4alpha,5alpha,6beta,7beta))-3,3'-((tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1h-1,3-diazepine-1,3(2h)-diyl)-bis(methylene))bis(n-2-thiazolylbenzamide)
  • 3-[[(4r,5s,6s,7r)-4,7-bis(benzyl)-5,6-dihydroxy-2-keto-3-[3-(thiazol-2-ylcarbamoyl)benzyl]-1,3-diazepan-1-yl]methyl]-n-thiazol-2-yl-benzamide
  • 3-[[(4r,5s,6s,7r)-5,6-dihydroxy-2-oxo-3-[[3-[oxo-(2-thiazolylamino)methyl]phenyl]methyl]-4,7-bis(phenylmethyl)-1,3-diazepan-1-yl]methyl]-n-(2-thiazolyl)benzamide
  • 3-[[(4r,5s,6s,7r)-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-3-[[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]methyl]-1,3-diazepan-1-yl]methyl]-n-(1,3-thiazol-2-yl)benzamide
  • 3-[[(4r,5s,6s,7r)-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-3-[[3-(thiazol-2-ylcarbamoyl)phenyl]methyl]-1,3-diazepan-1-yl]methyl]-n-thiazol-2-yl-benzamide
  • [4r-(4.alpha.,5.alpha.,6.beta.,7.beta.)]-3,3'-[[tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1h-1,3-diazepine-1,3(2h)-diyl]-bis(methylene)]bis[n-2-thiazolylbenzamide]
  • [4r-(4alpha,5alpha,6beta,7beta)]-3,3'-[[tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1h-1,3-diazepine-1,3(2h)-diyl] bis(methylene)]bis[n-2-thiazolylbenzamide]
  • [4r-(4alpha,5alpha,6beta,7beta)]-3,3'-[[tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1h-1,3-diazepine-1,3(2h)-diyl]bis(methylene)]bis[n-2-thiazolylbenzamide]
  • xv6
  • xv638
CAS Number(s)
  • 183854-11-7
InChIKey JDALSSGOBMTZEP-NWJWHWDBSA-N
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