3-[(4-cyclohexylphenyl)methylsulfanyl]-2-[[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]amino]propanoic acid

Systemtic Name: 3-[(4-cyclohexylphenyl)methylsulfanyl]-2-[[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]amino]propanoic acid Openeye Name: 2-[(3-benzoylsulfanyl-2-methyl-propanoyl)amino]-3-[(4-cyclohexylphenyl)methylsulfanyl]propanoic acid CAS Name: 2-[[3-(benzoylthio)-2-methyl-1-oxopropyl]amino]-3-[(4-cyclohexylphenyl)methylthio]propanoic acid IUPAC Name: 2-[(3-benzoylsulfanyl-2-methylpropanoyl)amino]-3-[(4-cyclohexylphenyl)methylsulfanyl]propanoic acid Traditional Name: 2-[[3-(benzoylthio)-2-methyl-propanoyl]amino]-3-[(4-cyclohexylbenzyl)thio]propionic acid Formula: C27H33NO4S2 MolecularWeight: 499.68522

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC=CC=C1)C(=O)NC(CSCC2=CC=C(C=C2)C3CCCCC3)C(=O)O

Isomeric SMILES

CC(CSC(=O)C1=CC=CC=C1)C(=O)NC(CSCC2=CC=C(C=C2)C3CCCCC3)C(=O)O

InChI

InChI=1S/C27H33NO4S2/c1-19(16-34-27(32)23-10-6-3-7-11-23)25(29)28-24(26(30)31)18-33-17-20-12-14-22(15-13-20)21-8-4-2-5-9-21/h3,6-7,10-15,19,21,24H,2,4-5,8-9,16-18H2,1H3,(H,28,29)(H,30,31)