O-Methyl-N-[4-Methyl-2-(Sulfanylmethyl)Pentanoyl]Tyrosine

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Properties Simple | Detailed

Formula C17H25NO4S
IUPAC Name (2s)-3-(4-methoxyphenyl)-2-[[(2s)-4-methyl-2-(sulfanylmethyl)pentanoyl]amino]propanoic acid
Molecular Mass 339.450 g·mol−1
Heat of Formation -781.7 ± 16.7 kJ·mol−1
Dipole Moment 1.17 ± 1.08 D
Volume 424.99 Å 3
Surface Area 350.35 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy 2.74 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2s)-2-(mercaptomethyl)-4-methyl-1-oxopentyl]amino]-3-(4-methoxyphenyl)propanoic acid
  • (2s)-2-[[(2s)-2-(mercaptomethyl)-4-methyl-pentanoyl]amino]-3-(4-methoxyphenyl)propionic acid
InChIKey PRPWYZNFKBFGFI-HIFRSBDPSA-N
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