CAS 116360-59-9: (4R,7S,12bS)-7-[[(1S)-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

Description:The chemical substance with the name "(4R,7S,12bS)-7-[[(1S)-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" and CAS number "116360-59-9" is a complex organic compound characterized by its multi-ring structure, which includes a thiazine and benzazepine moiety. This compound features multiple stereocenters, indicating that it exists in specific chiral forms, which can significantly influence its biological activity and interactions. The presence of carboxylic acid functional groups suggests potential for hydrogen bonding and solubility in polar solvents, while the phenylpropyl side chain may contribute to hydrophobic interactions. Its structural complexity implies potential pharmacological applications, possibly in the realm of medicinal chemistry, where such compounds are often explored for their therapeutic effects. The specific stereochemistry and functional groups present in this molecule are critical for its reactivity and biological properties, making it a subject of interest in drug design and development.

Formula:C₂₄H₂₆N₂O₅S

InChI:InChI=1S/C24H26N2O5S/c27-22-19(25-18(23(28)29)11-10-15-6-2-1-3-7-15)12-16-8-4-5-9-17(16)20-13-32-14-21(24(30)31)26(20)22/h1-9,18-21,25H,10-14H2,(H,28,29)(H,30,31)/t18-,19-,20+,21-/m0/s1

InChI key:InChIKey=DIAAFWDWJARFMW-BURNTYAHSA-N

SMILES:O=C(O)C(NC1C(=O)N2C(C(=O)O)CSCC2C=3C=CC=CC3C1)CCC=4C=CC=CC4

Synonyms:
1H-[1,4]Thiazino[3,4-a][2]benzazepine-4-carboxylic acid, 7-[[(1S)-1-carboxy-3-phenylpropyl]amino]-3,4,6,7,8,12b-hexahydro-6-oxo-, (4R,7S,12bS)-
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-[4α,7α(S*),12bβ]]-
(4R,7S,12bS)-7-[[(1S)-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