2-acetamido-3-[2-[4-(2-methylpropyl)phenyl]propanoylsulfanyl]propanoic acid

Systemtic Name: 2-acetamido-3-[2-[4-(2-methylpropyl)phenyl]propanoylsulfanyl]propanoic acid Openeye Name: 2-acetamido-3-[2-(4-isobutylphenyl)propanoylsulfanyl]propanoic acid CAS Name: 2-acetamido-3-[[2-[4-(2-methylpropyl)phenyl]-1-oxopropyl]thio]propanoic acid IUPAC Name: 2-acetamido-3-[2-[4-(2-methylpropyl)phenyl]propanoylsulfanyl]propanoic acid Traditional Name: 2-acetamido-3-[2-(4-isobutylphenyl)propanoylthio]propionic acid Formula: C18H25NO4S MolecularWeight: 351.4604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(=O)SCC(C(=O)O)NC(=O)C

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)SCC(C(=O)O)NC(=O)C

InChI

InChI=1S/C18H25NO4S/c1-11(2)9-14-5-7-15(8-6-14)12(3)18(23)24-10-16(17(21)22)19-13(4)20/h5-8,11-12,16H,9-10H2,1-4H3,(H,19,20)(H,21,22)