N-(4-Aminobutanoyl)-S-(4-Methoxybenzyl)-L-Cysteinylglycine

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Properties Simple | Detailed

Formula C17H25N3O5S
IUPAC Name 2-[[(2r)-2-(4-aminobutanoylamino)-3-[(4-methoxyphenyl)methylsulfanyl]propanoyl]amino]acetic acid
Molecular Mass 383.463 g·mol−1
Heat of Formation -852.7 ± 16.7 kJ·mol−1
Dipole Moment 3.02 ± 1.08 D
Volume 463.75 Å 3
Surface Area 418.27 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -0.09 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[(2r)-2-(4-aminobutanoylamino)-3-[(4-methoxybenzyl)thio]propanoyl]amino]acetic acid
  • 2-[[(2r)-2-(4-aminobutanoylamino)-3-[(4-methoxyphenyl)methylsulfanyl]propanoyl]amino]acetic acid
  • 2-[[(2r)-2-(4-aminobutanoylamino)-3-[(4-methoxyphenyl)methylsulfanyl]propanoyl]amino]ethanoic acid
  • 2-[[(2r)-2-[(4-amino-1-oxobutyl)amino]-3-[(4-methoxyphenyl)methylthio]-1-oxopropyl]amino]acetic acid
  • aby
InChIKey OMOPDEZZBQHMGS-AWEZNQCLSA-N
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