3-[6-[(2R)-2-aminocarbonylpyrrolidin-1-yl]-2-phenyl-7H-purin-8-yl]propanoic acid

Systemtic Name: 3-[6-[(2R)-2-aminocarbonylpyrrolidin-1-yl]-2-phenyl-7H-purin-8-yl]propanoic acid Openeye Name: 3-[6-[(2R)-2-carbamoylpyrrolidin-1-yl]-2-phenyl-7H-purin-8-yl]propanoic acid CAS Name: 3-[6-[(2R)-2-carbamoyl-1-pyrrolidinyl]-2-phenyl-7H-purin-8-yl]propanoic acid IUPAC Name: 3-[6-[(2R)-2-carbamoylpyrrolidin-1-yl]-2-phenyl-7H-purin-8-yl]propanoic acid Traditional Name: 3-[6-[(2R)-2-carbamoylpyrrolidino]-2-phenyl-7H-purin-8-yl]propionic acid Formula: C19H20N6O3 MolecularWeight: 380.4005

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=NC(=NC3=C2NC(=N3)CCC(=O)O)C4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1C[C@@H](N(C1)C2=NC(=NC3=C2NC(=N3)CCC(=O)O)C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C19H20N6O3/c20-16(28)12-7-4-10-25(12)19-15-18(22-13(21-15)8-9-14(26)27)23-17(24-19)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H2,20,28)(H,26,27)(H,21,22,23,24)/t12-/m1/s1