2-[[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]-(4-phenylcyclohexyl)amino]ethanoic acid

Systemtic Name: 2-[[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]-(4-phenylcyclohexyl)amino]ethanoic acid Openeye Name: 2-[(3-benzoylsulfanyl-2-methyl-propanoyl)-(4-phenylcyclohexyl)amino]acetic acid CAS Name: 2-[[3-(benzoylthio)-2-methyl-1-oxopropyl]-(4-phenylcyclohexyl)amino]acetic acid IUPAC Name: 2-[(3-benzoylsulfanyl-2-methylpropanoyl)-(4-phenylcyclohexyl)amino]acetic acid Traditional Name: 2-[[3-(benzoylthio)-2-methyl-propanoyl]-(4-phenylcyclohexyl)amino]acetic acid Formula: C25H29NO4S MolecularWeight: 439.56706

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC=CC=C1)C(=O)N(CC(=O)O)C2CCC(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(CSC(=O)C1=CC=CC=C1)C(=O)N(CC(=O)O)C2CCC(CC2)C3=CC=CC=C3

InChI

InChI=1S/C25H29NO4S/c1-18(17-31-25(30)21-10-6-3-7-11-21)24(29)26(16-23(27)28)22-14-12-20(13-15-22)19-8-4-2-5-9-19/h2-11,18,20,22H,12-17H2,1H3,(H,27,28)