2-methyl-3-[[2-(phenylmethyl)-3-propanoylsulfanyl-propanoyl]amino]benzoic acid

Systemtic Name: 2-methyl-3-[[2-(phenylmethyl)-3-propanoylsulfanyl-propanoyl]amino]benzoic acid Openeye Name: 3-[(2-benzyl-3-propanoylsulfanyl-propanoyl)amino]-2-methyl-benzoic acid CAS Name: 2-methyl-3-[[1-oxo-2-[(1-oxopropylthio)methyl]-3-phenylpropyl]amino]benzoic acid IUPAC Name: 3-[(2-benzyl-3-propanoylsulfanylpropanoyl)amino]-2-methylbenzoic acid Traditional Name: 3-[[2-benzyl-3-(propionylthio)propanoyl]amino]-2-methyl-benzoic acid Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2=CC=CC(=C2C)C(=O)O

Isomeric SMILES

CCC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2=CC=CC(=C2C)C(=O)O

InChI

InChI=1S/C21H23NO4S/c1-3-19(23)27-13-16(12-15-8-5-4-6-9-15)20(24)22-18-11-7-10-17(14(18)2)21(25)26/h4-11,16H,3,12-13H2,1-2H3,(H,22,24)(H,25,26)