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

Systemtic Name: 2-(azepan-1-ylcarbonylamino)-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-(azepane-1-carbonylamino)-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[1-azepanyl(oxo)methyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-(azepane-1-carbonylamino)-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-(azepane-1-carbonylamino)-3-(1H-indol-3-yl)propionic acid Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1CCCN(CC1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C18H23N3O3/c22-17(23)16(20-18(24)21-9-5-1-2-6-10-21)11-13-12-19-15-8-4-3-7-14(13)15/h3-4,7-8,12,16,19H,1-2,5-6,9-11H2,(H,20,24)(H,22,23)