(2S)-3-Methyl-2-[(2S,3R)-3-[(Methylsulfonyl)Amino]-1-{[2-(1-Pyrrolidinylmethyl)-1,3-Oxazol-4-Yl]Carbonyl}-2-Pyrrolidinyl]Butanoic Acid

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Properties Simple | Detailed

Formula C19H30N4O6S
IUPAC Name (2s)-2-[(2s,3r)-3-(methanesulfonamido)-1-[2-(pyrrolidin-1-ylmethyl)oxazole-4-carbonyl]pyrrolidin-2-yl]-3-methyl-butanoic acid
Molecular Mass 442.530 g·mol−1
Heat of Formation -1004.7 ± 16.7 kJ·mol−1
Dipole Moment 7.83 ± 1.08 D
Volume 516.27 Å 3
Surface Area 423.88 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[(2s,3r)-3-methanesulfonamido-1-[2-(pyrrolidin-1-ylmethyl)oxazole-4-carbonyl]pyrrolidin-2-yl]-3-methyl-butanoic acid
  • (2s)-2-[(2s,3r)-3-methanesulfonamido-1-[2-(pyrrolidin-1-ylmethyl)oxazole-4-carbonyl]pyrrolidin-2-yl]-3-methyl-butyric acid
  • (2s)-2-[(2s,3r)-3-methanesulfonamido-1-[oxo-[2-(1-pyrrolidinylmethyl)-4-oxazolyl]methyl]-2-pyrrolidinyl]-3-methylbutanoic acid
  • (2s)-3-methyl-2-((2r,3s)-3-[(methylsulfonyl)amino]-1-{[2-(pyrrolidin-1-ylmethyl)-1,3-oxazol-4-yl]carbonyl}pyrrolidin-2-yl)butanoic acid
  • (2s)-3-methyl-2-[(2s,3r)-3-(methylsulfonylamino)-1-[[2-(pyrrolidin-1-ylmethyl)-1,3-oxazol-4-yl]carbonyl]pyrrolidin-2-yl]butanoic acid
InChIKey PWBJTGRBTWYVSH-XOKHGSTOSA-N
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