Basic information
- Standard SMILES
CN(C)C(=O)CN1CC(c2ccccc2)C2(CCCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C2)C1=O- InChIKey
JQHNUSNHCYBITD-YGBYTHHISA-N- Molecular formula
- C37H51N5O7
- Average molar mass
- 677.8 g/mol
Names & identifiers
- Preferred name
- tert-butyl 1-((2R)-3-(benzyloxy)-1-(2-(2-(dimethylamino)-2-oxoethyl)-1-oxo-4-phenyl-2,7-diazaspiro[4.5]decan-7-yl)-1-oxopropan-2-ylamino)-2-methyl-1-oxopropan-2-ylcarbamate
- IUPAC
- tert-butyl N-[1-[[(2R)-1-[2-[2-(dimethylamino)-2-oxoethyl]-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxo-3-phenylmethoxypropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
Names & synonyms
SCHEMBL14057874JQHNUSNHCYBITD-YGBYTHHISA-Ntert-butyl 1-((2R)-3-(benzyloxy)-1-(2-(2-(dimethylamino)-2-oxoethyl)-1-oxo-4-phenyl-2,7-diazaspiro[4.5]decan-7-yl)-1-oxopropan-2-ylamino)-2-methyl-1-oxopropan-2-ylcarbamate
Database identifiers
- PubChem CID
- 71060339
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,190
Related reactions
2 records
Compound notes
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