(2S)-1-[4-[2-(dimethylazaniumyl)ethylamino]-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-[4-[2-(dimethylazaniumyl)ethylamino]-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[4-[2-(dimethylammonio)ethylamino]-4-oxo-butanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[4-[2-(dimethylammonio)ethylamino]-1,4-dioxobutyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[4-[2-(dimethylazaniumyl)ethylamino]-4-oxobutanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[4-[2-(dimethylammonio)ethylamino]-4-keto-butanoyl]pyrrolidine-2-carboxylate Formula: C13H23N3O4 MolecularWeight: 285.33942

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)CCC(=O)N1CCCC1C(=O)[O-]

Isomeric SMILES

C[NH+](C)CCNC(=O)CCC(=O)N1CCC[C@H]1C(=O)[O-]

InChI

InChI=1S/C13H23N3O4/c1-15(2)9-7-14-11(17)5-6-12(18)16-8-3-4-10(16)13(19)20/h10H,3-9H2,1-2H3,(H,14,17)(H,19,20)/t10-/m0/s1