2-(3-azanyl-2-oxidanylidene-azepan-1-yl)-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-(3-azanyl-2-oxidanylidene-azepan-1-yl)-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-(3-amino-2-oxo-azepan-1-yl)-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-(3-amino-2-oxo-1-azepanyl)-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-(3-amino-2-oxoazepan-1-yl)-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-(3-amino-2-keto-azepan-1-yl)-3-(1H-indol-3-yl)propionic acid Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)N)C(CC2=CNC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1CCN(C(=O)C(C1)N)C(CC2=CNC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C17H21N3O3/c18-13-6-3-4-8-20(16(13)21)15(17(22)23)9-11-10-19-14-7-2-1-5-12(11)14/h1-2,5,7,10,13,15,19H,3-4,6,8-9,18H2,(H,22,23)