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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1CCNC(C1)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C17H21N3O3/c21-16(14-7-3-4-8-18-14)20-15(17(22)23)9-11-10-19-13-6-2-1-5-12(11)13/h1-2,5-6,10,14-15,18-19H,3-4,7-9H2,(H,20,21)(H,22,23)/t14?,15-/m0/s1