5-Cyclohex-1-enyl-3-[{trans-4-(1-methoxycarbonyl-2-methyl-propylcarbamoyloxy)-cyclohexyl}-(trans-4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid

HCID 11963232
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Basic information

Standard SMILES
COC(=O)C(NC(=O)OC1CCC(N(C(=O)C2CCC(C)CC2)c2cc(C3=CCCCC3)sc2C(=O)O)CC1)C(C)C
InChIKey
PFOHWPCBSUQTAS-UHFFFAOYSA-N
Molecular formula
C32H46N2O7S
Average molar mass
602.8 g/mol

Names & identifiers

Preferred name
5-Cyclohex-1-enyl-3-[{trans-4-(1-methoxycarbonyl-2-methyl-propylcarbamoyloxy)-cyclohexyl}-(trans-4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid
IUPAC
5-(cyclohexen-1-yl)-3-[[4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoyloxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid

Names & synonyms

SCHEMBL2106111SCHEMBL2106113SCHEMBL2611978PFOHWPCBSUQTAS-XBDMCMFZSA-N5-cyclohex-1-enyl-3-[{trans-4-(1-methoxycarbonyl-2-methyl-propylcarbamoyloxy)-cyclohexyl}-(trans-4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid

Database identifiers

PubChem CID
11963232

Properties

Computed structural properties

XLogP
7.2
Topological polar surface area
150 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
11
Heavy atoms
42

Related reactions

2 records
New reaction record

Compound notes

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