(2S,2'S)-4,4'-[Disulfanediylbis({(2S)-2-[(Carboxyacetyl)Amino]-1-Oxo-3,1-Propanediyl}Imino)]Bis(2-Aminobutanoic Acid)

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Properties Simple | Detailed

Formula C20H32N6O12S2
IUPAC Name (2s)-2-amino-4-[[(2s)-3-[[(2s)-3-[[(3s)-3-amino-3-carboxy-propyl]amino]-2-[(2-carboxyacetyl)amino]-3-oxo-propyl]disulfanyl]-2-[(2-carboxyacetyl)amino]propanoyl]amino]butanoic acid
Molecular Mass 612.631 g·mol−1
Heat of Formation -2320.6 ± 16.7 kJ·mol−1
Dipole Moment 0.45 ± 1.08 D
Volume 695.27 Å 3
Surface Area 540.45 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-4-[[(2s)-3-[(2s)-3-[[(3s)-3-amino-4-hydroxy-4-keto-butyl]amino]-2-[(3-hydroxy-3-keto-propanoyl)amino]-3-keto-propyl]disulfanyl-2-[(3-hydroxy-3-keto-propanoyl)amino]propanoyl]amino]butyric acid
  • (2s)-2-amino-4-[[(2s)-3-[(2s)-3-[[(3s)-3-amino-4-hydroxy-4-oxo-butyl]amino]-2-[(3-hydroxy-3-oxo-propanoyl)amino]-3-oxo-propyl]disulfanyl-2-[(3-hydroxy-3-oxo-propanoyl)amino]propanoyl]amino]butanoic acid
  • (2s)-2-amino-4-[[(2s)-3-[(2s)-3-[[(3s)-3-amino-4-hydroxy-4-oxobutyl]amino]-2-[(3-hydroxy-1,3-dioxopropyl)amino]-3-oxopropyl]disulfanyl-2-[(3-hydroxy-1,3-dioxopropyl)amino]-1-oxopropyl]amino]butanoic acid
  • (2s)-2-amino-4-[[(2s)-3-[(2s)-3-[[(3s)-3-amino-4-hydroxy-4-oxobutyl]amino]-2-[(3-hydroxy-3-oxopropanoyl)amino]-3-oxopropyl]disulfanyl-2-[(3-hydroxy-3-oxopropanoyl)amino]propanoyl]amino]butanoic acid
InChIKey MRZMTLNHPCSZCE-NNYUYHANSA-N
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