Basic information
- CAS
63717-00-0- Standard SMILES
CC(=O)C1C(=O)NC(C(C)(C)C)C1O.CC(=O)C1C(=O)NC(C(C)(C)C)C1O.c1ccc(CNCCNCc2ccccc2)cc1- InChIKey
AITDPMAXOVTSTP-UHFFFAOYSA-N- Molecular formula
- C36H54N4O6
- Average molar mass
- 638.8 g/mol
- Monoisotopic mass
- 638.40433546
Names & identifiers
- Preferred name
- 1-(2-tert-Butyl-3,5-dihydroxy-3,4-dihydro-2H-pyrrol-4-yl)ethan-1-one--N~1~,N~2~-dibenzylethane-1,2-diamine (2/1)
- IUPAC
- bis(3-acetyl-5-tert-butyl-4-hydroxypyrrolidin-2-one);N,N'-dibenzylethane-1,2-diamine
Names & synonyms
DTXSID7098012863717-00-01-(2-tert-Butyl-3,5-dihydroxy-3,4-dihydro-2H-pyrrol-4-yl)ethan-1-one--N~1~,N~2~-dibenzylethane-1,2-diamine (2/1)RefChem:1054052DTXCID601407407DBED tenuazonateTenuazonic acid, N,N'-dibenzylethylene diamine salt2H-Pyrrol-2-one, 3-acetyl-5-(1,1-dimethylethyl)-1,5-dihydro-4-hydroxy-, N,N-dibenzylethylene3-Pyrrolin-2-one, 3-acetyl-5-sec-butyl-4-hydroxy-, cmpd. with N,N'-dibenzyl-ethylene diamine (2:1), L-
Database identifiers
- CAS
63717-00-0- PubChem CID
- 113809
- DTXSID
DTXSID70980128
Properties
Computed structural properties
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 438
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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