(2S)-2-[[4-[2-(dimethylazaniumyl)ethylamino]-4-oxidanylidene-butanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[[4-[2-(dimethylazaniumyl)ethylamino]-4-oxidanylidene-butanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[4-[2-(dimethylammonio)ethylamino]-4-oxo-butanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[4-[2-(dimethylammonio)ethylamino]-1,4-dioxobutyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[4-[2-(dimethylazaniumyl)ethylamino]-4-oxobutanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[4-[2-(dimethylammonio)ethylamino]-4-keto-butanoyl]amino]-4-(methylthio)butyrate Formula: C13H25N3O4S MolecularWeight: 319.4203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H25N3O4S/c1-16(2)8-7-14-11(17)4-5-12(18)15-10(13(19)20)6-9-21-3/h10H,4-9H2,1-3H3,(H,14,17)(H,15,18)(H,19,20)/t10-/m0/s1