Sulfazecin

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Properties Simple | Detailed

Formula C12H20N4O9S
IUPAC Name (2r)-2-amino-5-[[(1r)-2-[[(3r)-3-methoxy-2-oxo-1-sulfo-azetidin-3-yl]amino]-1-methyl-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
Molecular Mass 396.374 g·mol−1
Heat of Formation -1577.2 ± 16.7 kJ·mol−1
Dipole Moment 6.09 ± 1.08 D
Volume 436.86 Å 3
Surface Area 335.13 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-amino-5-[[(1r)-2-[[(3r)-3-methoxy-2-oxo-1-sulfo-3-azetidinyl]amino]-1-methyl-2-oxoethyl]amino]-5-oxopentanoic acid
  • (2r)-2-amino-5-[[(1r)-2-[[(3r)-3-methoxy-2-oxo-1-sulfo-azetidin-3-yl]amino]-1-methyl-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
  • (2r)-2-amino-5-[[(2r)-1-[[(3r)-3-methoxy-2-oxo-1-sulfo-azetidin-3-yl]amino]-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
  • (2r)-2-amino-5-keto-5-[[(1r)-2-keto-2-[[(3r)-2-keto-3-methoxy-1-sulfo-azetidin-3-yl]amino]-1-methyl-ethyl]amino]valeric acid
InChIKey MOBOUQJWGBVNCR-NQYJQULFSA-N
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