(2S)-1-(4-carboxy-8-imidazo[1,5-a]pyridin-5-yl-octanoyl)-2,3-dihydroindole-2-carboxylic acid

Systemtic Name: (2S)-1-(4-carboxy-8-imidazo[1,5-a]pyridin-5-yl-octanoyl)-2,3-dihydroindole-2-carboxylic acid Openeye Name: (2S)-1-(4-carboxy-8-imidazo[1,5-a]pyridin-5-yl-octanoyl)indoline-2-carboxylic acid CAS Name: (2S)-1-[4-carboxy-8-(5-imidazo[1,5-a]pyridinyl)-1-oxooctyl]-2,3-dihydroindole-2-carboxylic acid IUPAC Name: (2S)-1-(4-carboxy-8-imidazo[1,5-a]pyridin-5-yloctanoyl)-2,3-dihydroindole-2-carboxylic acid Traditional Name: (2S)-1-(4-carboxy-8-imidazo[1,5-a]pyridin-5-yl-octanoyl)indoline-2-carboxylic acid Formula: C25H27N3O5 MolecularWeight: 449.49898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=CC=CC=C21)C(=O)CCC(CCCCC3=CC=CC4=CN=CN43)C(=O)O)C(=O)O

Isomeric SMILES

C1[C@H](N(C2=CC=CC=C21)C(=O)CCC(CCCCC3=CC=CC4=CN=CN43)C(=O)O)C(=O)O

InChI

InChI=1S/C25H27N3O5/c29-23(28-21-11-4-2-7-18(21)14-22(28)25(32)33)13-12-17(24(30)31)6-1-3-8-19-9-5-10-20-15-26-16-27(19)20/h2,4-5,7,9-11,15-17,22H,1,3,6,8,12-14H2,(H,30,31)(H,32,33)/t17?,22-/m0/s1