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CHEBI:44384 - 3-{ISOPROPYL[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]AMINO}-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID

Default Structure
ChEBI IDCHEBI:44384
ChEBI Name3-{ISOPROPYL[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]AMINO}-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC22H27NO3S
Net Charge0
Average Mass385.529
Monoisotopic Mass385.17116
SMILES[H]OC(=O)c1sc(-c2c([H])c([H])c([H])c([H])c2[H])c([H])c1N(C(=O)[C@]1([H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C22H27NO3S/c1-14(2)23(21(24)17-11-9-15(3)10-12-17)18-13-19(27-20(18)22(25)26)16-7-5-4-6-8-16/h4-8,13-15,17H,9-12H2,1-3H3,(H,25,26)/t15-,17+
InChIKeyRZXQBIKGWSLVEK-WOVMCDHWSA-N
ChEBI Ontology
Outgoing Relation(s)
3-{ISOPROPYL[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]AMINO}-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID (CHEBI:44384) is a unclassifieds (CHEBI:27189)
Synonyms  Source
3-{ISOPROPYL[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]AMINO}-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACIDPDBeChem
3-{[(trans-4-methylcyclohexyl)carbonyl](1-methylethyl)amino}-5-phenylthiophene-2-carboxylic acidPDBeChem
Manual XrefsDatabases
NN3PDBeChem