(S)-5-benzyloxy-2-(3-tert-butylamino-2-hydroxypropoxy)nicotinonitrile maleate
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Basic information
- Standard SMILES
CC(C)(C)NC[C@H](O)COc1ncc(OCc2ccccc2)cc1C#N.O=C(O)/C=C\C(=O)O- InChIKey
CODQLLDENOVYSM-HNUXRKMMSA-N- Molecular formula
- C24H29N3O7
- Average molar mass
- 471.5 g/mol
- Monoisotopic mass
- 471.20055027
Names & identifiers
- Preferred name
- (S)-5-benzyloxy-2-(3-tert-butylamino-2-hydroxypropoxy)nicotinonitrile maleate
- IUPAC
- (Z)-but-2-enedioic acid;2-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-5-phenylmethoxypyridine-3-carbonitrile
Names & synonyms
SCHEMBL11193032CODQLLDENOVYSM-HNUXRKMMSA-N(S)-5-benzyloxy-2-(3-tert-butylamino-2-hydroxypropoxy)nicotinonitrile maleate
Database identifiers
- PubChem CID
- 70533944
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 570
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Related reactions
2 records
Compound notes
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