Methyl N-(6-{[(2R)-2-Amino-3-Sulfanylpropyl]Amino}-1-Naphthoyl)-L-Methioninate

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Properties Simple | Detailed

Formula C20H27N3O3S2
IUPAC Name methyl (2s)-2-[[6-[[(2r)-2-amino-3-sulfanyl-propyl]amino]naphthalene-1-carbonyl]amino]-4-methylsulfanyl-butanoate
Molecular Mass 421.577 g·mol−1
Heat of Formation -391.2 ± 16.7 kJ·mol−1
Dipole Moment 1.96 ± 1.08 D
Volume 519.21 Å 3
Surface Area 435.42 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[6-[[(2r)-2-amino-3-mercapto-propyl]amino]naphthalene-1-carbonyl]amino]-4-(methylthio)butyric acid methyl ester
  • (2s)-2-[[[6-[[(2r)-2-amino-3-mercaptopropyl]amino]-1-naphthyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester
  • methyl (2s)-2-[[6-[[(2r)-2-amino-3-sulfanyl-propyl]amino]naphthalen-1-yl]carbonylamino]-4-methylsulfanyl-butanoate
  • methyl (2s)-2-[[6-[[(2r)-2-amino-3-sulfanyl-propyl]amino]naphthalene-1-carbonyl]amino]-4-methylsulfanyl-butanoate
  • methyl (2s)-2-[[6-[[(2r)-2-amino-3-sulfanylpropyl]amino]naphthalene-1-carbonyl]amino]-4-methylsulfanylbutanoate
InChIKey PXCDDWIKPOASGU-KDOFPFPSSA-N
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