2-[[(2S)-3-methyl-2-[[(2S)-pyrrolidin-1-ium-2-yl]carbonylamino]butanoyl]amino]ethanoate

Systemtic Name: 2-[[(2S)-3-methyl-2-[[(2S)-pyrrolidin-1-ium-2-yl]carbonylamino]butanoyl]amino]ethanoate Openeye Name: 2-[[(2S)-3-methyl-2-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]butanoyl]amino]acetate CAS Name: 2-[[(2S)-3-methyl-1-oxo-2-[[oxo-[(2S)-2-pyrrolidin-1-iumyl]methyl]amino]butyl]amino]acetate IUPAC Name: 2-[[(2S)-3-methyl-2-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]butanoyl]amino]acetate Traditional Name: 2-[[(2S)-3-methyl-2-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]butanoyl]amino]acetate Formula: C12H21N3O4 MolecularWeight: 271.31284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(=O)[O-])NC(=O)C1CCC[NH2+]1

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC(=O)[O-])NC(=O)[C@@H]1CCC[NH2+]1

InChI

InChI=1S/C12H21N3O4/c1-7(2)10(12(19)14-6-9(16)17)15-11(18)8-4-3-5-13-8/h7-8,10,13H,3-6H2,1-2H3,(H,14,19)(H,15,18)(H,16,17)/t8-,10-/m0/s1