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

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Properties Simple | Detailed

Formula C22H30N3O3S+
IUPAC Name (2s)-2-[[4-[[(2r)-2-azaniumyl-3-sulfanyl-propyl]amino]-2-phenyl-benzoyl]amino]-4-methyl-pentanoate
Molecular Mass 416.557 g·mol−1
Heat of Formation -170.5 ± 16.7 kJ·mol−1
Dipole Moment 40.05 ± 1.08 D
Volume 521.27 Å 3
Surface Area 419.73 Å 2
HOMO Energy -6.67 ± 0.55 eV
LUMO Energy -2.87 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[[(2r)-2-amino-3-mercapto-propyl]amino]-2-phenyl-benzoyl]amino]-4-methyl-valeric acid
  • (2s)-2-[[4-[[(2r)-2-amino-3-sulfanyl-propyl]amino]-2-phenyl-benzoyl]amino]-4-methyl-pentanoic acid
  • (2s)-2-[[4-[[(2r)-2-amino-3-sulfanyl-propyl]amino]-2-phenyl-phenyl]carbonylamino]-4-methyl-pentanoic acid
  • (2s)-2-[[4-[[(2r)-2-amino-3-sulfanylpropyl]amino]-2-phenylbenzoyl]amino]-4-methylpentanoic acid
  • (2s)-2-[[[4-[[(2r)-2-amino-3-mercaptopropyl]amino]-2-phenylphenyl]-oxomethyl]amino]-4-methylpentanoic acid
InChIKey IIPCWBJMJZVLOK-UZLBHIALSA-N
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