N-Acetyl-L-Alanyl-D-γ-Glutamyl-N-{(1R)-1-[(2R)-4-Carboxy-5-Methylene-5,6-Dihydro-2H-1,3-Thiazin-2-Yl]-2-Oxoethyl}-L-Lysinamide

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Properties Simple | Detailed

Formula C24H36N6O9S
IUPAC Name (2r)-2-[(1r)-1-[[(2s)-2-[[(4r)-4-[[(2s)-2-acetamidopropanoyl]amino]-4-carboxy-butanoyl]amino]-6-amino-hexanoyl]amino]-2-oxo-ethyl]-5-methylene-2h-1,3-thiazine-4-carboxylic acid
Molecular Mass 584.642 g·mol−1
Heat of Formation -1557.6 ± 16.7 kJ·mol−1
Dipole Moment 2.44 ± 1.08 D
Volume 702.99 Å 3
Surface Area 587.94 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[(1r)-1-[[(2s)-2-[[(4r)-4-[[(2s)-2-acetamido-1-oxopropyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-6-amino-1-oxohexyl]amino]-2-oxoethyl]-5-methylene-2h-1,3-thiazine-4-carboxylic acid
  • (2r)-2-[(1r)-1-[[(2s)-2-[[(4r)-4-[[(2s)-2-acetamidopropanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-6-amino-hexanoyl]amino]-2-keto-ethyl]-5-methylene-2h-1,3-thiazine-4-carboxylic acid
  • (2r)-2-[(1r)-1-[[(2s)-2-[[(4r)-4-[[(2s)-2-acetamidopropanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-6-amino-hexanoyl]amino]-2-oxo-ethyl]-5-methylene-2h-1,3-thiazine-4-carboxylic acid
  • (2r)-2-[(1r)-1-[[(2s)-2-[[(4r)-4-[[(2s)-2-acetamidopropanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-6-amino-hexanoyl]amino]-2-oxo-ethyl]-5-methylidene-2h-1,3-thiazine-4-carboxylic acid
  • (2r)-2-[(1r)-1-[[(2s)-2-[[(4r)-4-[[(2s)-2-acetamidopropanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-6-aminohexanoyl]amino]-2-oxoethyl]-5-methylidene-2h-1,3-thiazine-4-carboxylic acid
  • 2-(1-{2-[4-(2-acetylamino-propionylamino)-4-carboxy-butyrylamino]-6-amino-hexanoylamino}-2-oxo-ethyl)-5-methylene-5,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid
InChIKey BZBLEHRBZDVRSG-JKCYHXNASA-N
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