Basic information
- CAS
94135-18-9- Standard SMILES
CC[C@@H]1[C@@H](O)N2[C@H]3CC45c6ccccc6N(C)[C@H]4[C@@H]2C[C@H]1C3[C@H]5O.N[C@@H](CC(=O)O)C(=O)O- InChIKey
VCWIFMKCDNQZDM-CVCKMUHGSA-N- Molecular formula
- C24H33N3O6
- Average molar mass
- 459.5 g/mol
- Monoisotopic mass
- 459.23693578
Names & identifiers
- Preferred name
- L-Aspartic acid, compd. with (17R,21-alpha)-ajmalan-17,21-diol (1:1)
- IUPAC
- (2S)-2-aminobutanedioic acid;(9R,10S,12S,13S,14R,16S,18R)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol
Names & synonyms
RefChem:1088136EINECS 302-887-294135-18-9L-Aspartic acid, compound with (17R,21alpha)-ajmalan-17,21-diol (1:1)
Database identifiers
- CAS
94135-18-9- PubChem CID
- 198673
- EC Number
- 302-887-2
Properties
Computed structural properties
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 702
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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