(2S)-3-(1H-indol-3-yl)-2-(piperidin-4-ylcarbonylamino)propanoic acid

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-(piperidin-4-ylcarbonylamino)propanoic acid Openeye Name: (2S)-3-(1H-indol-3-yl)-2-(piperidine-4-carbonylamino)propanoic acid CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[oxo(4-piperidinyl)methyl]amino]propanoic acid IUPAC Name: (2S)-3-(1H-indol-3-yl)-2-(piperidine-4-carbonylamino)propanoic acid Traditional Name: (2S)-3-(1H-indol-3-yl)-2-(isonipecotoylamino)propionic acid Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1CNCCC1C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C17H21N3O3/c21-16(11-5-7-18-8-6-11)20-15(17(22)23)9-12-10-19-14-4-2-1-3-13(12)14/h1-4,10-11,15,18-19H,5-9H2,(H,20,21)(H,22,23)/t15-/m0/s1