Methyl N-[(5-{[(2R)-2-Amino-3-Sulfanylpropyl]Amino}-2-Biphenylyl)Carbonyl]-L-Methioninate

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Properties Simple | Detailed

Formula C22H29N3O3S2
IUPAC Name methyl (2s)-2-[[4-[[(2r)-2-amino-3-sulfanyl-propyl]amino]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoate
Molecular Mass 447.614 g·mol−1
Heat of Formation -390.8 ± 16.7 kJ·mol−1
Dipole Moment 2.80 ± 1.08 D
Volume 545.58 Å 3
Surface Area 443.89 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[[(2r)-2-amino-3-mercapto-propyl]amino]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid methyl ester
  • (2s)-2-[[[4-[[(2r)-2-amino-3-mercaptopropyl]amino]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester
  • methyl (2s)-2-[[4-[[(2r)-2-amino-3-sulfanyl-propyl]amino]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoate
  • methyl (2s)-2-[[4-[[(2r)-2-amino-3-sulfanyl-propyl]amino]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate
  • methyl (2s)-2-[[4-[[(2r)-2-amino-3-sulfanylpropyl]amino]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoate
  • methyl {n-[2-phenyl-4-n [2(r)-amino-3-mecaptopropylamino] benzoyl]}-methionate, tfa
InChIKey GKFPROVOIQKYTO-UZLBHIALSA-N
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