2-[2-[[(2S)-2-(2-azaniumylethanoylamino)-4-methyl-pentanoyl]amino]ethanoylamino]ethanoate

Systemtic Name: 2-[2-[[(2S)-2-(2-azaniumylethanoylamino)-4-methyl-pentanoyl]amino]ethanoylamino]ethanoate Openeye Name: 2-[[2-[[(2S)-2-[(2-azaniumylacetyl)amino]-4-methyl-pentanoyl]amino]acetyl]amino]acetate CAS Name: 2-[[2-[[(2S)-2-[(2-ammonio-1-oxoethyl)amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]acetate IUPAC Name: 2-[[2-[[(2S)-2-[(2-azaniumylacetyl)amino]-4-methylpentanoyl]amino]acetyl]amino]acetate Traditional Name: 2-[[2-[[(2S)-2-[(2-ammonioacetyl)amino]-4-methyl-pentanoyl]amino]acetyl]amino]acetate Formula: C12H22N4O5 MolecularWeight: 302.32688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(=O)NCC(=O)[O-])NC(=O)C[NH3+]

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC(=O)NCC(=O)[O-])NC(=O)C[NH3+]

InChI

InChI=1S/C12H22N4O5/c1-7(2)3-8(16-9(17)4-13)12(21)15-5-10(18)14-6-11(19)20/h7-8H,3-6,13H2,1-2H3,(H,14,18)(H,15,21)(H,16,17)(H,19,20)/t8-/m0/s1