Methyl N-[4-{[(2R)-2-Amino-3-Sulfanylpropyl]Amino}-2-(1-Naphthyl)Benzoyl]-L-Leucinate

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Properties Simple | Detailed

Formula C27H33N3O3S
IUPAC Name (2s)-2-[[4-[[(2r)-2-amino-3-sulfanyl-propyl]amino]-2-(3-methyl-2-vinyl-phenyl)benzoyl]amino]-4-methyl-pentanoate
Molecular Mass 479.634 g·mol−1
Heat of Formation -388.2 ± 16.7 kJ·mol−1
Dipole Moment 5.70 ± 1.08 D
Volume 602.22 Å 3
Surface Area 477.23 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy 2.21 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[[(2r)-2-amino-3-mercapto-propyl]amino]-2-(1-naphthyl)benzoyl]amino]-4-methyl-valeric acid methyl ester
  • (2s)-2-[[[4-[[(2r)-2-amino-3-mercaptopropyl]amino]-2-(1-naphthyl)phenyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester
  • methyl (2s)-2-[[4-[[(2r)-2-amino-3-sulfanyl-propyl]amino]-2-(1-naphthyl)benzoyl]amino]-4-methyl-pentanoate
  • methyl (2s)-2-[[4-[[(2r)-2-amino-3-sulfanyl-propyl]amino]-2-naphthalen-1-yl-phenyl]carbonylamino]-4-methyl-pentanoate
  • methyl (2s)-2-[[4-[[(2r)-2-amino-3-sulfanylpropyl]amino]-2-naphthalen-1-ylbenzoyl]amino]-4-methylpentanoate
  • n-4-[2(r)-amino-3-mercaptopropyl]amino-2-naphthylbenzoyl-(l)-leucine methyl ester, tfa
InChIKey XVWPFYDMUFBHBF-CLOONOSVSA-N
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