3-(3-methylbutylamino)-4-phenylsulfanyl-butanoic acid

Systemtic Name: 3-(3-methylbutylamino)-4-phenylsulfanyl-butanoic acid Openeye Name: 3-(isopentylamino)-4-phenylsulfanyl-butanoic acid CAS Name: 3-(3-methylbutylamino)-4-(phenylthio)butanoic acid IUPAC Name: 3-(3-methylbutylamino)-4-phenylsulfanylbutanoic acid Traditional Name: 3-(isoamylamino)-4-(phenylthio)butyric acid Formula: C15H23NO2S MolecularWeight: 281.41362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(CC(=O)O)CSC1=CC=CC=C1

Isomeric SMILES

CC(C)CCNC(CC(=O)O)CSC1=CC=CC=C1

InChI

InChI=1S/C15H23NO2S/c1-12(2)8-9-16-13(10-15(17)18)11-19-14-6-4-3-5-7-14/h3-7,12-13,16H,8-11H2,1-2H3,(H,17,18)