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Ethyl 2-[(2-{[(2-{[(1S)-2-(1H-Imidazol-1-yl)-1-phenylethyl]oxy}-5-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)methyl]sulfanyl}benzoyl)amino]propanoate

HCID 69735237
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCOC(=O)C(C)NC(=O)c1ccccc1SCc1c(O[C@H](Cn2ccnc2)c2ccccc2)ccc2c1CCCC2=O
InChIKey
FDHCXMPDZFFXMD-ORLYWQOISA-N
Molecular formula
C34H35N3O5S
Average molar mass
597.7 g/mol
Monoisotopic mass
597.2297424

Names & identifiers

Preferred name
Ethyl 2-[(2-{[(2-{[(1S)-2-(1H-Imidazol-1-yl)-1-phenylethyl]oxy}-5-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)methyl]sulfanyl}benzoyl)amino]propanoate
IUPAC
ethyl 2-[[2-[[2-[(1S)-2-imidazol-1-yl-1-phenylethoxy]-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methylsulfanyl]benzoyl]amino]propanoate

Names & synonyms

SCHEMBL6299494FDHCXMPDZFFXMD-ORLYWQOISA-NEthyl 2-[(2-{[(2-{[(1S)-2-(1H-Imidazol-1-yl)-1-phenylethyl]oxy}-5-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)methyl]sulfanyl}benzoyl)amino]propanoate

Database identifiers

PubChem CID
69735237

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
125 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
13
Heavy atoms
43
Formal charge
0
Complexity
930

Related reactions

1 records
New reaction record
HRID 496461 reaction equation
HRID 496461As productuspto-grants-2005_09

Compound notes

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