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

Systemtic Name: 2-azanyl-3-[1-(4-propan-2-ylphenyl)butylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[1-(4-isopropylphenyl)butylsulfanyl]propanoic acid CAS Name: 2-amino-3-[1-(4-propan-2-ylphenyl)butylthio]propanoic acid IUPAC Name: 2-amino-3-[1-(4-propan-2-ylphenyl)butylsulfanyl]propanoic acid Traditional Name: 2-amino-3-(1-p-cumenylbutylthio)propionic acid Formula: C16H25NO2S MolecularWeight: 295.4402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO2S/c1-4-5-15(20-10-14(17)16(18)19)13-8-6-12(7-9-13)11(2)3/h6-9,11,14-15H,4-5,10,17H2,1-3H3,(H,18,19)