(Z)-6-[(1R,4S,5R,6R)-6-[[(4-Methylphenyl)Sulfonylamino]Methyl]-5-Bicyclo[2.2.1]Heptanyl]Hex-5-Enoic Acid
[CAS# 121700-32-1]

Identification

• Name: (Z)-6-[(1R,4S,5R,6R)-6-[[(4-Methylphenyl)Sulfonylamino]Methyl]-5-Bicyclo[2.2.1]Heptanyl]Hex-5-Enoic Acid
• Synonyms: (Z)-6-[(1S,2R,3R,4R)-3-[[(4-Methylphenyl)Sulfonylamino]Methyl]Norbornan-2-Yl]Hex-5-Enoic Acid; (Z)-6-[(1S,2R,3R,4R)-3-[[(4-Methylphenyl)Sulfonylamino]Methyl]-2-Norbornanyl]Hex-5-Enoic Acid; Ono-Nt 125
• Molecular Formula: C₂₁H₂₉NO₄S
• Molecular Weight: 391.52
• CAS Registry Number: 121700-32-1
• SMILES: [C@H]12[C@H]([C@H]([C@H](C1)CC2)\C=C/CCCC(=O)O)CN[S](=O)(=O)C3=CC=C(C=C3)C
• InChI: 1S/C21H29NO4S/c1-15-7-11-18(12-8-15)27(25,26)22-14-20-17-10-9-16(13-17)19(20)5-3-2-4-6-21(23)24/h3,5,7-8,11-12,16-17,19-20,22H,2,4,6,9-10,13-14H2,1H3,(H,23,24)/b5-3-/t16-,17+,19-,20+/m0/s1
• InChIKey: ZQUVNOMEXKWSRI-ZVQSNZPMSA-N

Properties

• Density: 1.233g/cm³ (Cal.)
• Boiling point: 570.481°C at 760 mmHg (Cal.)
• Flash point: 298.816°C (Cal.)