7-[(1R,2R,3R,4S)-3-[[2-[(Phenylamino)Carbonyl]Hydrazinyl]Methyl]-7-Oxabicyclo[2.2.1]Hept-2-Yl]-(5Z)-Rel-5-Heptenoic Acid
[CAS# 98299-61-7]

Identification

• Name: 7-[(1R,2R,3R,4S)-3-[[2-[(Phenylamino)Carbonyl]Hydrazinyl]Methyl]-7-Oxabicyclo[2.2.1]Hept-2-Yl]-(5Z)-Rel-5-Heptenoic Acid
• Synonyms: (Z)-7-[(1R,4S,5R,6R)-5-[[N'-[Oxo-(Phenylamino)Methyl]Hydrazino]Methyl]-7-Oxabicyclo[2.2.1]Heptan-6-Yl]Hept-5-Enoic Acid; 5-Heptenoic Acid, 7-((1R,2R,3R,4S)-3-((2-((Phenylamino)Carbonyl)Hydrazino)Methyl)-7-Oxabicyclo(2.2.1)Hept-2-Yl)-, (5Z)-Rel-; (Z)-7-[(1R,4S,5R,6R)-5-[(N'-(Phenylcarbamoyl)Hydrazino)Methyl]-7-Oxabicyclo[2.2.1]Heptan-6-Yl]Hept-5-Enoic Acid
• Molecular Formula: C₂₁H₂₉N₃O₄
• Molecular Weight: 387.48
• CAS Registry Number: 98299-61-7
• SMILES: [C@@H]1([C@H]([C@@H]2O[C@H]1CC2)C\C=C/CCCC(=O)O)CNNC(=O)NC3=CC=CC=C3
• InChI: 1S/C21H29N3O4/c25-20(26)11-7-2-1-6-10-16-17(19-13-12-18(16)28-19)14-22-24-21(27)23-15-8-4-3-5-9-15/h1,3-6,8-9,16-19,22H,2,7,10-14H2,(H,25,26)(H2,23,24,27)/b6-1-/t16-,17+,18-,19+/m1/s1
• InChIKey: RJNDVCNWVBWHLY-OQMICVBCSA-N

Properties

• Density: 1.208g/cm³ (Cal.)