N-(Dimethylsulfamoyl)Phenylalanyl-N-{3-Hydroxy-6-Methyl-1-[(2-Methylbutyl)Amino]-1-Oxo-4-Heptanyl}-N~6~-(Methylcarbamothioyl)Lysinamide

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Properties Simple | Detailed

Formula C32H57N7O6S2
IUPAC Name (3s,4s)-4-[[(2s)-2-[[(2s)-2-(dimethylsulfamoylamino)-3-phenyl-propanoyl]amino]-6-(methylcarbamothioylamino)hexanoyl]amino]-3-hydroxy-6-methyl-n-[(2s)-2-methylbutyl]heptanamide
Molecular Mass 699.968 g·mol−1
Heat of Formation -1242.0 ± 16.7 kJ·mol−1
Dipole Moment 10.44 ± 1.08 D
Volume 886.7 Å 3
Surface Area 702.3 Å 2
HOMO Energy -8.17 ± 0.55 eV
LUMO Energy 0.30 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,4s)-4-[[(2s)-2-[[(2s)-2-(dimethylsulfamoylamino)-1-oxo-3-phenylpropyl]amino]-6-[(methylamino-thioxomethyl)amino]-1-oxohexyl]amino]-3-hydroxy-6-methyl-n-[(2s)-2-methylbutyl]heptanamide
  • (3s,4s)-4-[[(2s)-2-[[(2s)-2-(dimethylsulfamoylamino)-3-phenyl-propanoyl]amino]-6-(methylcarbamothioylamino)hexanoyl]amino]-3-hydroxy-6-methyl-n-[(2s)-2-methylbutyl]heptanamide
  • (3s,4s)-4-[[(2s)-2-[[(2s)-2-(dimethylsulfamoylamino)-3-phenyl-propanoyl]amino]-6-(methylthiocarbamoylamino)hexanoyl]amino]-3-hydroxy-6-methyl-n-[(2s)-2-methylbutyl]enanthamide
  • (3s,4s)-4-[[(2s)-2-[[(2s)-2-(dimethylsulfamoylamino)-3-phenylpropanoyl]amino]-6-(methylcarbamothioylamino)hexanoyl]amino]-3-hydroxy-6-methyl-n-[(2s)-2-methylbutyl]heptanamide
InChIKey GBPRCFWBWHGSJH-BLVAWXTGSA-N
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