3-[4-(2-aminocarbonylpyrrolidin-1-yl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]propanoic acid

Systemtic Name: 3-[4-(2-aminocarbonylpyrrolidin-1-yl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]propanoic acid Openeye Name: 3-[4-(2-carbamoylpyrrolidin-1-yl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]propanoic acid CAS Name: 3-[4-(2-carbamoyl-1-pyrrolidinyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]propanoic acid IUPAC Name: 3-[4-(2-carbamoylpyrrolidin-1-yl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]propanoic acid Traditional Name: 3-[4-(2-carbamoylpyrrolidino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]propionic acid Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=NC(=NC3=C2C=C(N3)CCC(=O)O)C4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1CC(N(C1)C2=NC(=NC3=C2C=C(N3)CCC(=O)O)C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C20H21N5O3/c21-17(28)15-7-4-10-25(15)20-14-11-13(8-9-16(26)27)22-19(14)23-18(24-20)12-5-2-1-3-6-12/h1-3,5-6,11,15H,4,7-10H2,(H2,21,28)(H,26,27)(H,22,23,24)