(2S)-2-[[3-[4-(3-methylbutoxy)phenyl]-3-oxidanylidene-propyl]azaniumyl]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[[3-[4-(3-methylbutoxy)phenyl]-3-oxidanylidene-propyl]azaniumyl]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[3-(4-isopentyloxyphenyl)-3-oxo-propyl]ammonio]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[3-[4-(3-methylbutoxy)phenyl]-3-oxopropyl]ammonio]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[3-[4-(3-methylbutoxy)phenyl]-3-oxopropyl]azaniumyl]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[3-(4-isoamoxyphenyl)-3-keto-propyl]ammonio]-4-(methylthio)butyrate Formula: C19H29NO4S MolecularWeight: 367.50286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)CC[NH2+]C(CCSC)C(=O)[O-]

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)CC[NH2+][C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C19H29NO4S/c1-14(2)9-12-24-16-6-4-15(5-7-16)18(21)8-11-20-17(19(22)23)10-13-25-3/h4-7,14,17,20H,8-13H2,1-3H3,(H,22,23)/t17-/m0/s1