(2R)-2-[2-[cyclohexyl(ethyl)azaniumyl]ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2R)-2-[2-[cyclohexyl(ethyl)azaniumyl]ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2R)-2-[[2-[cyclohexyl(ethyl)ammonio]acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[2-[cyclohexyl(ethyl)ammonio]-1-oxoethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2R)-2-[[2-[cyclohexyl(ethyl)azaniumyl]acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[2-[cyclohexyl(ethyl)ammonio]acetyl]amino]-4-(methylthio)butyrate Formula: C15H28N2O3S MolecularWeight: 316.45942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H28N2O3S/c1-3-17(12-7-5-4-6-8-12)11-14(18)16-13(15(19)20)9-10-21-2/h12-13H,3-11H2,1-2H3,(H,16,18)(H,19,20)/t13-/m1/s1