[(Z)-Amino{4-[(5R)-2-Oxo-5-{[4-(2-Oxo-2-Propoxyethyl)-1-Piperazinyl]Methyl}-1,3-Oxazolidin-3-Yl]Phenyl}Methylene]Carbamic Acid

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Properties Simple | Detailed

Formula C21H29N5O6
IUPAC Name (z)-[amino-[4-[(5r)-2-oxo-5-[[4-(2-oxo-2-propoxy-ethyl)piperazin-1-yl]methyl]oxazolidin-3-yl]phenyl]methylene]carbamic acid
Molecular Mass 447.485 g·mol−1
Heat of Formation -905.7 ± 16.7 kJ·mol−1
Dipole Moment 9.56 ± 1.08 D
Volume 526.05 Å 3
Surface Area 474.28 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-[amino-[4-[(5r)-2-keto-5-[[4-(2-keto-2-propoxy-ethyl)piperazin-1-yl]methyl]oxazolidin-3-yl]phenyl]methylene]carbamic acid
  • (z)-[amino-[4-[(5r)-2-oxo-5-[[4-(2-oxo-2-propoxy-ethyl)piperazin-1-yl]methyl]-1,3-oxazolidin-3-yl]phenyl]methylidene]carbamic acid
  • (z)-[amino-[4-[(5r)-2-oxo-5-[[4-(2-oxo-2-propoxy-ethyl)piperazin-1-yl]methyl]oxazolidin-3-yl]phenyl]methylene]carbamic acid
  • (z)-[amino-[4-[(5r)-2-oxo-5-[[4-(2-oxo-2-propoxyethyl)-1-piperazinyl]methyl]-3-oxazolidinyl]phenyl]methylene]carbamic acid
  • (z)-[amino-[4-[(5r)-2-oxo-5-[[4-(2-oxo-2-propoxyethyl)piperazin-1-yl]methyl]-1,3-oxazolidin-3-yl]phenyl]methylidene]carbamic acid
  • 4-(((5r)-3-(p-(carboxyamidino)phenyl)-2-oxo-5-oxazolidinyl)methyl)-1-piperazineacetic acid, 1-ethyl methyl ester.
  • gantofiban
CAS Number(s)
  • 183547-57-1
InChIKey FVKDKMMIWAKRHS-QGZVFWFLSA-N
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