6-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]hexanoic acid

Systemtic Name: 6-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]hexanoic acid Openeye Name: 6-[[(2S)-2-(p-tolylsulfanyl)propanoyl]amino]hexanoic acid CAS Name: 6-[[(2S)-2-[(4-methylphenyl)thio]-1-oxopropyl]amino]hexanoic acid IUPAC Name: 6-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]hexanoic acid Traditional Name: 6-[[(2S)-2-(p-tolylthio)propanoyl]amino]hexanoic acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C(=O)NCCCCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S[C@@H](C)C(=O)NCCCCCC(=O)O

InChI

InChI=1S/C16H23NO3S/c1-12-7-9-14(10-8-12)21-13(2)16(20)17-11-5-3-4-6-15(18)19/h7-10,13H,3-6,11H2,1-2H3,(H,17,20)(H,18,19)/t13-/m0/s1