N-[(2S)-2-Hydroxypropyl]-4-{[(2-{[(1S)-2-(1H-imidazol-1-yl)-1-phenylethyl]oxy}-5-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)methyl]sulfanyl}benzamide
Basic information
- Standard SMILES
C[C@H](O)CNC(=O)c1ccc(SCc2c(O[C@H](Cn3ccnc3)c3ccccc3)ccc3c2CCCC3=O)cc1- InChIKey
XMRVXPGKQZMQPK-WKRVVKTRSA-N- Molecular formula
- C32H33N3O4S
- Average molar mass
- 555.7 g/mol
- Monoisotopic mass
- 555.21917772
Names & identifiers
- Preferred name
- N-[(2S)-2-Hydroxypropyl]-4-{[(2-{[(1S)-2-(1H-imidazol-1-yl)-1-phenylethyl]oxy}-5-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)methyl]sulfanyl}benzamide
- IUPAC
- N-[(2S)-2-hydroxypropyl]-4-[[2-[(1S)-2-imidazol-1-yl-1-phenylethoxy]-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methylsulfanyl]benzamide
Names & synonyms
SCHEMBL6306085XMRVXPGKQZMQPK-WKRVVKTRSA-NN-[(2S)-2-Hydroxypropyl]-4-{[(2-{[(1S)-2-(1H-imidazol-1-yl)-1-phenylethyl]oxy}-5-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)methyl]sulfanyl}benzamide
Database identifiers
- PubChem CID
- 69736781
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 816
Related reactions
1 records
Compound notes
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