Basic information
- Standard SMILES
COC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](N)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1- InChIKey
UECOHAHHZYELQU-UDOOFANFSA-N- Molecular formula
- C27H45N3O4
- Average molar mass
- 475.7 g/mol
Names & identifiers
- Preferred name
- (5R,8S)-7-[(S)-2-((S)-2-Amino-2-cyclohexyl-acetylamino)-3,3-dimethyl-butyryl]-10,10-dimethyl-7-aza-dispiro[3.0.4.1]decane-8-carboxylic acid methyl ester
- IUPAC
- methyl (5R,8S)-7-[(2S)-2-[[(2S)-2-amino-2-cyclohexylacetyl]amino]-3,3-dimethylbutanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxylate
Names & synonyms
SCHEMBL583891UECOHAHHZYELQU-UDOOFANFSA-N(5R,8S)-7-[(S)-2-((S)-2-Amino-2-cyclohexyl-acetylamino)-3,3-dimethyl-butyryl]-10,10-dimethyl-7-aza-dispiro[3.0.4.1]decane-8-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 59533249
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 837
Related reactions
9 records
Compound notes
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