(2S)-3-(1H-indol-3-yl)-2-[(1-oxidanidylpyridin-1-ium-3-yl)carbonylamino]propanoic acid

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-[(1-oxidanidylpyridin-1-ium-3-yl)carbonylamino]propanoic acid Openeye Name: (2S)-3-(1H-indol-3-yl)-2-[(1-oxidopyridin-1-ium-3-carbonyl)amino]propanoic acid CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[(1-oxido-3-pyridin-1-iumyl)-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-(1H-indol-3-yl)-2-[(1-oxidopyridin-1-ium-3-carbonyl)amino]propanoic acid Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[(1-oxidopyridin-1-ium-3-carbonyl)amino]propionic acid Formula: C17H15N3O4 MolecularWeight: 325.3187

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C17H15N3O4/c21-16(11-4-3-7-20(24)10-11)19-15(17(22)23)8-12-9-18-14-6-2-1-5-13(12)14/h1-7,9-10,15,18H,8H2,(H,19,21)(H,22,23)/t15-/m0/s1