3-[[2-(cyclohexylcarbonylsulfanylmethyl)-3-phenyl-propanoyl]amino]-2-methyl-benzoic acid

Systemtic Name: 3-[[2-(cyclohexylcarbonylsulfanylmethyl)-3-phenyl-propanoyl]amino]-2-methyl-benzoic acid Openeye Name: 3-[[2-benzyl-3-(cyclohexanecarbonylsulfanyl)propanoyl]amino]-2-methyl-benzoic acid CAS Name: 3-[[2-[[[cyclohexyl(oxo)methyl]thio]methyl]-1-oxo-3-phenylpropyl]amino]-2-methylbenzoic acid IUPAC Name: 3-[[2-benzyl-3-(cyclohexanecarbonylsulfanyl)propanoyl]amino]-2-methylbenzoic acid Traditional Name: 3-[[2-benzyl-3-(cyclohexanecarbonylthio)propanoyl]amino]-2-methyl-benzoic acid Formula: C25H29NO4S MolecularWeight: 439.56706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C(CC2=CC=CC=C2)CSC(=O)C3CCCCC3)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C(CC2=CC=CC=C2)CSC(=O)C3CCCCC3)C(=O)O

InChI

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