4-[(2S)-2-azanyl-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxidanylidene-propyl]benzoic acid

Systemtic Name: 4-[(2S)-2-azanyl-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxidanylidene-propyl]benzoic acid Openeye Name: 4-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxo-propyl]benzoic acid CAS Name: 4-[(2S)-2-amino-3-[(2S)-2-cyano-1-pyrrolidinyl]-3-oxopropyl]benzoic acid IUPAC Name: 4-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]benzoic acid Traditional Name: 4-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidino]-3-keto-propyl]benzoic acid Formula: C15H17N3O3 MolecularWeight: 287.31378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=C(C=C2)C(=O)O)N)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=C(C=C2)C(=O)O)N)C#N

InChI

InChI=1S/C15H17N3O3/c16-9-12-2-1-7-18(12)14(19)13(17)8-10-3-5-11(6-4-10)15(20)21/h3-6,12-13H,1-2,7-8,17H2,(H,20,21)/t12-,13-/m0/s1