(2S)-2-(hexylcarbamoylamino)-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-(hexylcarbamoylamino)-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-(hexylcarbamoylamino)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(hexylamino)-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-(hexylcarbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-2-(hexylcarbamoylamino)-4-(methylthio)butyrate Formula: C12H23N2O3S- MolecularWeight: 275.38762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CCCCCCNC(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C12H24N2O3S/c1-3-4-5-6-8-13-12(17)14-10(11(15)16)7-9-18-2/h10H,3-9H2,1-2H3,(H,15,16)(H2,13,14,17)/p-1/t10-/m0/s1