3-[(4-cyclohexylphenyl)methylsulfanyl]-3-ethanoylsulfanyl-2-(2-methylpropanoylamino)propanoic acid

Systemtic Name: 3-[(4-cyclohexylphenyl)methylsulfanyl]-3-ethanoylsulfanyl-2-(2-methylpropanoylamino)propanoic acid Openeye Name: 3-acetylsulfanyl-3-[(4-cyclohexylphenyl)methylsulfanyl]-2-(2-methylpropanoylamino)propanoic acid CAS Name: 3-(acetylthio)-3-[(4-cyclohexylphenyl)methylthio]-2-[(2-methyl-1-oxopropyl)amino]propanoic acid IUPAC Name: 3-acetylsulfanyl-3-[(4-cyclohexylphenyl)methylsulfanyl]-2-(2-methylpropanoylamino)propanoic acid Traditional Name: 3-(acetylthio)-3-[(4-cyclohexylbenzyl)thio]-2-(isobutyrylamino)propionic acid Formula: C22H31NO4S2 MolecularWeight: 437.61584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(C(SCC1=CC=C(C=C1)C2CCCCC2)SC(=O)C)C(=O)O

Isomeric SMILES

CC(C)C(=O)NC(C(SCC1=CC=C(C=C1)C2CCCCC2)SC(=O)C)C(=O)O

InChI

InChI=1S/C22H31NO4S2/c1-14(2)20(25)23-19(21(26)27)22(29-15(3)24)28-13-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h9-12,14,17,19,22H,4-8,13H2,1-3H3,(H,23,25)(H,26,27)