(2S)-2-[2-[bis(2-methylpropyl)azaniumyl]ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[2-[bis(2-methylpropyl)azaniumyl]ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[2-(diisobutylammonio)acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-[bis(2-methylpropyl)ammonio]-1-oxoethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[2-[bis(2-methylpropyl)azaniumyl]acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(diisobutylammonio)acetyl]amino]-4-(methylthio)butyrate Formula: C15H30N2O3S MolecularWeight: 318.4753

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H30N2O3S/c1-11(2)8-17(9-12(3)4)10-14(18)16-13(15(19)20)6-7-21-5/h11-13H,6-10H2,1-5H3,(H,16,18)(H,19,20)/t13-/m0/s1