Oxiranecarboxylic acid, 3-(((3-methyl-1-((4-((2,3,4-trimethoxyphenyl)methyl)-1-piperazinyl)carbonyl)butyl)amino)carbonyl)-, monosodium salt, (2R-(2-alpha,3-beta(S*)))-
Basic information
- CAS
84518-83-2- Standard SMILES
COc1ccc(CN2CCN(C(=O)C(CC(C)C)NC(=O)[C@@H]3O[C@H]3C(=O)[O-])CC2)c(OC)c1OC.[Na+]- InChIKey
CFICSUJOGUHLMF-ZDDDRALKSA-N- Molecular formula
- C24H34N3NaO8
- Average molar mass
- 515.5 g/mol
- Monoisotopic mass
- 515.22435933
Names & identifiers
- Preferred name
- Oxiranecarboxylic acid, 3-(((3-methyl-1-((4-((2,3,4-trimethoxyphenyl)methyl)-1-piperazinyl)carbonyl)butyl)amino)carbonyl)-, monosodium salt, (2R-(2-alpha,3-beta(S*)))-
- IUPAC
- sodium (2R,3R)-3-[[4-methyl-1-oxo-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]pentan-2-yl]carbamoyl]oxirane-2-carboxylate
- English name
- Oxiranecarboxylic acid, 3-(((3-methyl-1-((4-((2,3,4-trimethoxyphenyl)m ethyl)-1-piperazinyl)carbonyl)butyl)amino)carbonyl)-, monosodium salt, (2R-(2-alpha,3-beta(S*)))-
- Molecular formula
- C24H36N3NaO8
- Molecular weight
- 517.55
Names & synonyms
84518-83-2Oxiranecarboxylic acid, 3-(((3-methyl-1-((4-((2,3,4-trimethoxyphenyl)methyl)-1-piperazinyl)carbonyl)butyl)amino)carbonyl)-, monosodium salt, (2R-(2-alpha,3-beta(S*)))-RefChem:1094069Oxiranecarboxylic acid, 3-(((3-methyl-1-((4-((2,3,4-trimethoxyphenyl)m ethyl)-1-piperazinyl)carbonyl)butyl)amino)carbonyl)-, monosodium salt, (2R-(2-alpha,3-beta(S*)))-
Database identifiers
- CAS
84518-83-2- PubChem CID
- 23711643
Properties
Computed structural properties
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 749
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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