(2S)-2-[[(2S)-2-(azepan-1-ium-1-yl)propanoyl]amino]propanoate

Systemtic Name: (2S)-2-[[(2S)-2-(azepan-1-ium-1-yl)propanoyl]amino]propanoate Openeye Name: (2S)-2-[[(2S)-2-(azepan-1-ium-1-yl)propanoyl]amino]propanoate CAS Name: (2S)-2-[[(2S)-2-(1-azepan-1-iumyl)-1-oxopropyl]amino]propanoate IUPAC Name: (2S)-2-[[(2S)-2-(azepan-1-ium-1-yl)propanoyl]amino]propanoate Traditional Name: (2S)-2-[[(2S)-2-(azepan-1-ium-1-yl)propanoyl]amino]propionate Formula: C12H22N2O3 MolecularWeight: 242.31468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC(=O)C(C)[NH+]1CCCCCC1

Isomeric SMILES

C[C@@H](C(=O)[O-])NC(=O)[C@H](C)[NH+]1CCCCCC1

InChI

InChI=1S/C12H22N2O3/c1-9(12(16)17)13-11(15)10(2)14-7-5-3-4-6-8-14/h9-10H,3-8H2,1-2H3,(H,13,15)(H,16,17)/t9-,10-/m0/s1