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

Systemtic Name: (2S)-2-[2-[cyclohexyl(methyl)azaniumyl]ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[2-[cyclohexyl(methyl)ammonio]acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-[cyclohexyl(methyl)ammonio]-1-oxoethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[2-[cyclohexyl(methyl)azaniumyl]acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-[cyclohexyl(methyl)ammonio]acetyl]amino]-4-(methylthio)butyrate Formula: C14H26N2O3S MolecularWeight: 302.43284

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(=O)NC(CCSC)C(=O)[O-])C1CCCCC1

Isomeric SMILES

C[NH+](CC(=O)N[C@@H](CCSC)C(=O)[O-])C1CCCCC1

InChI

InChI=1S/C14H26N2O3S/c1-16(11-6-4-3-5-7-11)10-13(17)15-12(14(18)19)8-9-20-2/h11-12H,3-10H2,1-2H3,(H,15,17)(H,18,19)/t12-/m0/s1