N-benzyl-N-(2-methyl-3-pyrrolidin-1-ium-1-ylpropyl)-3-phenyl-1,2-oxazol-5-amine3-carboxy-3,5-dihydroxy-5-oxopentanoate
N-benzyl-N-(2-methyl-3-pyrrolidin-1-ium-1-ylpropyl)-3-phenyl-1,2-oxazol-5-amine;3-carboxy-3,5-dihydroxy-5-oxopentanoate
| Molecular Formula | C30H37N3O8 |
|---|---|
| Molecular Weight | 567.6 g/mol |
| Topological Polar Surface Area | 169.0 A2 |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 567.25806 |
| Heavy Atoms | 41 |
| Complexity | 681.0 |
Chemical Identifiers
| CAS Number | 103785-32-6 |
|---|---|
| SMILES | CC(C[NH+]1CCCC1)CN(CC2=CC=CC=C2)C3=CC(=NO3)C4=CC=CC=C4.C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O |
| InChIKey | JKYYERUAOYNUKY-UHFFFAOYSA-N |
📖 Product Overview
N-benzyl-N-(2-methyl-3-pyrrolidin-1-ium-1-ylpropyl)-3-phenyl-1,2-oxazol-5-amine3-carboxy-3,5-dihydroxy-5-oxopentanoate (CAS: 103785-32-6) is a chemical compound with molecular formula C30H37N3O8 and molecular weight 567.6 g/mol. Its IUPAC systematic name is N-benzyl-N-(2-methyl-3-pyrrolidin-1-ium-1-ylpropyl)-3-phenyl-1,2-oxazol-5-amine;3-carboxy-3,5-dihydroxy-5-oxopentanoate.
JKYYERUAOYNUKY-UHFFFAOYSA-N.
SMILES: CC(C[NH+]1CCCC1)CN(CC2=CC=CC=C2)C3=CC(=NO3)C4=CC=CC=C4.C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O.
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