(4R,7S,12Bs)-7-{[(1S)-1-Carboxy-3-Phenylpropyl]Amino}-6-Oxo-3,4,6,7,8,12B-Hexahydro-1H-[1,4]Thiazino[3,4-A][2]Benzazepine-4-Carboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C24H26N2O5S
IUPAC Name (4r,7s,12bs)-7-[[(1s)-1-carboxy-3-phenyl-propyl]amino]-6-oxo-1,3,4,7,8,12b-hexahydro-[1,4]thiazino[3,4-a][2]benzazepine-4-carboxylic acid
Molecular Mass 454.539 g·mol−1
Heat of Formation -492.9 ± 16.7 kJ·mol−1
Dipole Moment 3.58 ± 1.08 D
Volume 521.63 Å 3
Surface Area 422.98 Å 2
Point Group Symmetry C1
Synonyms
  • (4r,7s,12bs)-7-[[(1s)-1-carboxy-3-phenyl-propyl]amino]-6-keto-1,3,4,7,8,12b-hexahydro-[1,4]thiazino[5,4-a][2]benzazepine-4-carboxylic acid
  • (4r,7s,12bs)-7-[[(1s)-1-carboxy-3-phenyl-propyl]amino]-6-oxo-1,3,4,7,8,12b-hexahydro-[1,4]thiazino[5,4-a][2]benzazepine-4-carboxylic acid
  • (4r,7s,12bs)-7-[[(1s)-1-carboxy-3-phenylpropyl]amino]-6-oxo-1,3,4,7,8,12b-hexahydro-[1,4]thiazino[5,4-a][2]benzazepine-4-carboxylic acid
  • (4r,7s,12bs)-7-[[(2s)-1-hydroxy-1-oxo-4-phenyl-butan-2-yl]amino]-6-oxo-1,3,4,7,8,12b-hexahydro-[1,4]thiazino[5,4-a][2]benzazepine-4-carboxylic acid
  • (4r,7s,12bs)-7-[[(2s)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]amino]-6-oxo-1,3,4,7,8,12b-hexahydro-[1,4]thiazino[5,4-a][2]benzazepine-4-carboxylic acid
  • 1h-(1,4)thiazino(3,4-a)(2)benzazepine-4-carboxylic acid, 7-((1-carboxy-3-phenylpropyl)amino)-3,4,6,7,8,12b-hexahydro-6-oxo-, (4r-(4alpha,7alpha(s*),12beta))-
  • 7-(1-carboxy-3-phenylpropyl)amino-3,4,6,7,8,12b-hexahydro-6-oxo-1h-(1,4)thiazino(3,4-a)-2-benzazepine-4-carboxylic acid
  • mdl 27788
  • mdl-27,788
CAS Number(s)
  • 116360-59-9
InChIKey DIAAFWDWJARFMW-BURNTYAHSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N