(2R)-2-[(4-azanyl-2-bromanyl-phenoxy)methyl]-2-[(2S)-2-cyanopyrrolidin-1-yl]carbonyl-pyrrolidine-1-carboxylic acid

Systemtic Name: (2R)-2-[(4-azanyl-2-bromanyl-phenoxy)methyl]-2-[(2S)-2-cyanopyrrolidin-1-yl]carbonyl-pyrrolidine-1-carboxylic acid Openeye Name: (2R)-2-[(4-amino-2-bromo-phenoxy)methyl]-2-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid CAS Name: (2R)-2-[(4-amino-2-bromophenoxy)methyl]-2-[[(2S)-2-cyano-1-pyrrolidinyl]-oxomethyl]-1-pyrrolidinecarboxylic acid IUPAC Name: (2R)-2-[(4-amino-2-bromophenoxy)methyl]-2-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid Traditional Name: (2R)-2-[(4-amino-2-bromo-phenoxy)methyl]-2-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid Formula: C18H21BrN4O4 MolecularWeight: 437.28774

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2(CCCN2C(=O)O)COC3=C(C=C(C=C3)N)Br)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@@]2(CCCN2C(=O)O)COC3=C(C=C(C=C3)N)Br)C#N

InChI

InChI=1S/C18H21BrN4O4/c19-14-9-12(21)4-5-15(14)27-11-18(6-2-8-23(18)17(25)26)16(24)22-7-1-3-13(22)10-20/h4-5,9,13H,1-3,6-8,11,21H2,(H,25,26)/t13-,18+/m0/s1