4-[methyl-[3-(4-methylphenyl)sulfanylpropanoyl]amino]butanoic acid

Systemtic Name: 4-[methyl-[3-(4-methylphenyl)sulfanylpropanoyl]amino]butanoic acid Openeye Name: 4-[methyl-[3-(p-tolylsulfanyl)propanoyl]amino]butanoic acid CAS Name: 4-[methyl-[3-[(4-methylphenyl)thio]-1-oxopropyl]amino]butanoic acid IUPAC Name: 4-[methyl-[3-(4-methylphenyl)sulfanylpropanoyl]amino]butanoic acid Traditional Name: 4-[methyl-[3-(p-tolylthio)propanoyl]amino]butyric acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)N(C)CCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)N(C)CCCC(=O)O

InChI

InChI=1S/C15H21NO3S/c1-12-5-7-13(8-6-12)20-11-9-14(17)16(2)10-3-4-15(18)19/h5-8H,3-4,9-11H2,1-2H3,(H,18,19)