2-azanyl-3-[1-(4-propan-2-ylphenyl)pentylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[1-(4-propan-2-ylphenyl)pentylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[1-(4-isopropylphenyl)pentylsulfanyl]propanoic acid CAS Name: 2-amino-3-[1-(4-propan-2-ylphenyl)pentylthio]propanoic acid IUPAC Name: 2-amino-3-[1-(4-propan-2-ylphenyl)pentylsulfanyl]propanoic acid Traditional Name: 2-amino-3-(1-p-cumenylpentylthio)propionic acid Formula: C17H27NO2S MolecularWeight: 309.46678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=C(C=C1)C(C)C)SCC(C(=O)O)N

Isomeric SMILES

CCCCC(C1=CC=C(C=C1)C(C)C)SCC(C(=O)O)N

InChI

InChI=1S/C17H27NO2S/c1-4-5-6-16(21-11-15(18)17(19)20)14-9-7-13(8-10-14)12(2)3/h7-10,12,15-16H,4-6,11,18H2,1-3H3,(H,19,20)