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Basic information
- Standard SMILES
COC(=O)NCCO[C@@H](c1cccc(Cl)c1)[C@@H]1CCCN(C(=S)N[C@@H](CC2CCCCC2)CN(C)C(=O)OC(C)(C)C)C1- InChIKey
ZENNJHDGSGZPRH-PKXQUSJVSA-N- Molecular formula
- C32H51ClN4O5S
- Average molar mass
- 639.3 g/mol
Names & identifiers
- Preferred name
- methyl 2-((R)-(3-chlorophenyl)((R)-1-((S)-1-cyclohexyl-3-(N-methyl-N-(tert-butoxycarbonyl)amino)propan-2-ylcarbamothioyl)piperidin-3-yl)methoxy)ethylcarbamate
- IUPAC
- tert-butyl N-[(2S)-2-[[(3R)-3-[(R)-(3-chlorophenyl)-[2-(methoxycarbonylamino)ethoxy]methyl]piperidine-1-carbothioyl]amino]-3-cyclohexylpropyl]-N-methylcarbamate
Names & synonyms
SCHEMBL3612794ZENNJHDGSGZPRH-PKXQUSJVSA-Nmethyl 2-((R)-(3-chlorophenyl)((R)-1-((S)-1-cyclohexyl-3-(N-methyl-N-(tert-butoxycarbonyl)amino)propan-2-ylcarbamothioyl)piperidin-3-yl)methoxy)ethylcarbamate
Database identifiers
- PubChem CID
- 59201614
Properties
Computed structural propertiesFilling in
- XLogP
- 6.7
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 884
Related reactions
2 records
Compound notes
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