(2S)-2-[[4-[2-(dimethylazaniumyl)ethylamino]-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[[4-[2-(dimethylazaniumyl)ethylamino]-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoate Openeye Name: (2S)-2-[[4-[2-(dimethylammonio)ethylamino]-4-oxo-butanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[4-[2-(dimethylammonio)ethylamino]-1,4-dioxobutyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[[4-[2-(dimethylazaniumyl)ethylamino]-4-oxobutanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[4-[2-(dimethylammonio)ethylamino]-4-keto-butanoyl]amino]-3-methyl-butyrate Formula: C13H25N3O4 MolecularWeight: 287.3553

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)CCC(=O)NCC[NH+](C)C

InChI

InChI=1S/C13H25N3O4/c1-9(2)12(13(19)20)15-11(18)6-5-10(17)14-7-8-16(3)4/h9,12H,5-8H2,1-4H3,(H,14,17)(H,15,18)(H,19,20)/t12-/m0/s1