2-azanyl-3-[(4-hexylphenyl)methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[(4-hexylphenyl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(4-hexylphenyl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(4-hexylphenyl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(4-hexylphenyl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(4-hexylbenzyl)thio]propionic acid Formula: C16H25NO2S MolecularWeight: 295.4402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)CSCC(C(=O)O)N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)CSCC(C(=O)O)N

InChI

InChI=1S/C16H25NO2S/c1-2-3-4-5-6-13-7-9-14(10-8-13)11-20-12-15(17)16(18)19/h7-10,15H,2-6,11-12,17H2,1H3,(H,18,19)