(2S)-2-[[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-2-methyl-propanoyl]amino]propanoate

Systemtic Name: (2S)-2-[[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-2-methyl-propanoyl]amino]propanoate Openeye Name: (2S)-2-[[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-2-methyl-propanoyl]amino]propanoate CAS Name: (2S)-2-[[2-[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]-2-methyl-1-oxopropyl]amino]propanoate IUPAC Name: (2S)-2-[[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-2-methylpropanoyl]amino]propanoate Traditional Name: (2S)-2-[[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-2-methyl-propanoyl]amino]propionate Formula: C13H25N3O4 MolecularWeight: 287.3553

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC(=O)C(C)(C)[NH+]1CCN(CC1)CCO

Isomeric SMILES

C[C@@H](C(=O)[O-])NC(=O)C(C)(C)[NH+]1CCN(CC1)CCO

InChI

InChI=1S/C13H25N3O4/c1-10(11(18)19)14-12(20)13(2,3)16-6-4-15(5-7-16)8-9-17/h10,17H,4-9H2,1-3H3,(H,14,20)(H,18,19)/t10-/m0/s1