(3S)-3-({[3-({[2-({[5-(Methylsulfonyl)-2-Thienyl]Carbonyl}Amino)Ethyl]Disulfanyl}Methyl)Phenyl]Sulfonyl}Amino)-4-Oxopentanoic Acid

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Properties Simple | Detailed

Formula C20H24N2O8S5
IUPAC Name (3s)-3-[[3-[[2-[(5-methylsulfonylthiophene-2-carbonyl)amino]ethyldisulfanyl]methyl]phenyl]sulfonylamino]-4-oxo-pentanoic acid
Molecular Mass 580.738 g·mol−1
Heat of Formation -1234.1 ± 16.7 kJ·mol−1
Dipole Moment 4.36 ± 1.08 D
Volume 627.08 Å 3
Surface Area 514.8 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -1.48 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3-[[3-[2-[(5-methylsulfonylthiophen-2-yl)carbonylamino]ethyldisulfanylmethyl]phenyl]sulfonylamino]-4-oxo-pentanoic acid
  • (3s)-3-[[3-[2-[(5-methylsulfonylthiophene-2-carbonyl)amino]ethyldisulfanylmethyl]phenyl]sulfonylamino]-4-oxo-pentanoic acid
  • (3s)-3-[[3-[2-[(5-methylsulfonylthiophene-2-carbonyl)amino]ethyldisulfanylmethyl]phenyl]sulfonylamino]-4-oxopentanoic acid
  • (3s)-3-[[3-[2-[[(5-methylsulfonyl-2-thienyl)-oxomethyl]amino]ethyldisulfanylmethyl]phenyl]sulfonylamino]-4-oxopentanoic acid
  • (3s)-4-keto-3-[[3-[2-[(5-mesylthiophene-2-carbonyl)amino]ethyldisulfanylmethyl]phenyl]sulfonylamino]valeric acid
  • 3-(3-{2-[(5-methanesulfonyl-thiophene-2-carbonyl)-amino]-ethyldisulfanylmethyl}- benzenesulfonylamino)-4-oxo-pentanoic acid
InChIKey VIJJMTFSKSTKFB-INIZCTEOSA-N
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