(2S)-2-[2-[methyl-(phenylmethyl)azaniumyl]ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[2-[methyl-(phenylmethyl)azaniumyl]ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[2-[benzyl(methyl)ammonio]acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-[methyl-(phenylmethyl)ammonio]-1-oxoethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[2-[benzyl(methyl)azaniumyl]acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-[benzyl(methyl)ammonio]acetyl]amino]-4-(methylthio)butyrate Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C15H22N2O3S/c1-17(10-12-6-4-3-5-7-12)11-14(18)16-13(15(19)20)8-9-21-2/h3-7,13H,8-11H2,1-2H3,(H,16,18)(H,19,20)/t13-/m0/s1