(2S)-1-[2-[(2-chloranyl-7H-purin-6-yl)-cyclopropyl-amino]ethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[2-[(2-chloranyl-7H-purin-6-yl)-cyclopropyl-amino]ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[2-[(2-chloro-7H-purin-6-yl)-cyclopropyl-amino]acetyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]acetyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[2-[(2-chloro-7H-purin-6-yl)-cyclopropyl-amino]acetyl]proline Formula: C15H17ClN6O3 MolecularWeight: 364.78688

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CN(C2CC2)C3=NC(=NC4=C3NC=N4)Cl)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CN(C2CC2)C3=NC(=NC4=C3NC=N4)Cl)C(=O)O

InChI

InChI=1S/C15H17ClN6O3/c16-15-19-12-11(17-7-18-12)13(20-15)22(8-3-4-8)6-10(23)21-5-1-2-9(21)14(24)25/h7-9H,1-6H2,(H,24,25)(H,17,18,19,20)/t9-/m0/s1