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

Systemtic Name: (3S)-2-[(2S)-pyrrolidin-2-yl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-2-[(2S)-pyrrolidine-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-2-[oxo-[(2S)-2-pyrrolidinyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-2-[(2S)-pyrrolidine-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-2-[(2S)-prolyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C15H18N2O3 MolecularWeight: 274.31502

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N2CC3=CC=CC=C3CC2C(=O)O

Isomeric SMILES

C1C[C@H](NC1)C(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)O

InChI

InChI=1S/C15H18N2O3/c18-14(12-6-3-7-16-12)17-9-11-5-2-1-4-10(11)8-13(17)15(19)20/h1-2,4-5,12-13,16H,3,6-9H2,(H,19,20)/t12-,13-/m0/s1