(2S)-3-(1H-indol-3-yl)-2-[[(2S)-pyrrolidin-1-ium-2-yl]carbonylamino]propanoate

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-[[(2S)-pyrrolidin-1-ium-2-yl]carbonylamino]propanoate Openeye Name: (2S)-3-(1H-indol-3-yl)-2-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[oxo-[(2S)-2-pyrrolidin-1-iumyl]methyl]amino]propanoate IUPAC Name: (2S)-3-(1H-indol-3-yl)-2-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]propionate Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)[O-]

Isomeric SMILES

C1C[C@H]([NH2+]C1)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)[O-]

InChI

InChI=1S/C16H19N3O3/c20-15(13-6-3-7-17-13)19-14(16(21)22)8-10-9-18-12-5-2-1-4-11(10)12/h1-2,4-5,9,13-14,17-18H,3,6-8H2,(H,19,20)(H,21,22)/t13-,14-/m0/s1