(2S)-2-Amino-6-[[(1R)-2-[[(1R,2S)-1-Carboxy-2-Methoxy-Propyl]Amino]-2-Oxo-1-(Sulfanylmethyl)Ethyl]Amino]-6-Oxo-Hexanoic Acid

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Properties Simple | Detailed

Formula C14H25N3O7S
IUPAC Name (2s)-2-amino-6-[[(1r)-2-[[(1r,2s)-1-carboxy-2-methoxy-propyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-6-oxo-hexanoic acid
Molecular Mass 379.429 g·mol−1
Heat of Formation -1370.1 ± 16.7 kJ·mol−1
Dipole Moment 5.22 ± 1.08 D
Volume 455.58 Å 3
Surface Area 400.54 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-6-[[(1r)-2-[[(1r,2s)-1-carboxy-2-methoxy-propyl]amino]-2-keto-1-(mercaptomethyl)ethyl]amino]-6-keto-hexanoic acid
  • (2s)-2-amino-6-[[(1r)-2-[[(1r,2s)-1-carboxy-2-methoxy-propyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-6-oxo-hexanoic acid
  • (2s)-2-amino-6-[[(1r)-2-[[(1r,2s)-1-carboxy-2-methoxypropyl]amino]-1-(mercaptomethyl)-2-oxoethyl]amino]-6-oxohexanoic acid
  • (2s)-2-amino-6-[[(2r)-1-[[(2r,3s)-1-hydroxy-3-methoxy-1-oxo-butan-2-yl]amino]-1-oxo-3-sulfanyl-propan-2-yl]amino]-6-oxo-hexanoic acid
InChIKey LVCFAJQOVSJZGP-FTYOSLGDSA-N
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