N-(1-Hydroxyethylidene)phenylalanine--adamantan-1-amine (1/1)
Basic information
- CAS
79380-99-7- Standard SMILES
CC(=O)N[C@@H](Cc1ccccc1)C(=O)O.NC12CC3CC(CC(C3)C1)C2- InChIKey
NVJQQPSVBSYLGM-PPHPATTJSA-N- Molecular formula
- C21H30N2O3
- Average molar mass
- 358.5 g/mol
- Monoisotopic mass
- 358.22564282
Names & identifiers
- Preferred name
- N-(1-Hydroxyethylidene)phenylalanine--adamantan-1-amine (1/1)
- IUPAC
- (2S)-2-acetamido-3-phenylpropanoic acid;adamantan-1-amine
Names & synonyms
DTXSID001000433N-(1-Hydroxyethylidene)phenylalanine--adamantan-1-amine (1/1)N-(1-Hydroxyethylidene)-L-phenylalanine--adamantan-1-amine (1/1)
Database identifiers
- CAS
79380-99-7- PubChem CID
- 174168
- DTXSID
DTXSID001000433
Properties
Computed structural properties
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 378
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Compound notes
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