(2S)-1-[[(3S)-2-pyrrolidin-1-ylcarbonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[[(3S)-2-pyrrolidin-1-ylcarbonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(3S)-2-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[oxo-[(3S)-2-[oxo(1-pyrrolidinyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(3S)-2-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(3S)-2-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]proline Formula: C20H25N3O4 MolecularWeight: 371.4302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)N2CC3=CC=CC=C3CC2C(=O)N4CCCC4C(=O)O

Isomeric SMILES

C1CCN(C1)C(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)N4CCC[C@H]4C(=O)O

InChI

InChI=1S/C20H25N3O4/c24-18(22-11-5-8-16(22)19(25)26)17-12-14-6-1-2-7-15(14)13-23(17)20(27)21-9-3-4-10-21/h1-2,6-7,16-17H,3-5,8-13H2,(H,25,26)/t16-,17-/m0/s1