(2S)-N-[(6-azanylpyridin-3-yl)methyl]-1-[(2R,3S)-3-phenylpyrrolidin-2-yl]carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(6-azanylpyridin-3-yl)methyl]-1-[(2R,3S)-3-phenylpyrrolidin-2-yl]carbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(6-amino-3-pyridyl)methyl]-1-[(2R,3S)-3-phenylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(6-amino-3-pyridinyl)methyl]-1-[oxo-[(2R,3S)-3-phenyl-2-pyrrolidinyl]methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(6-aminopyridin-3-yl)methyl]-1-[(2R,3S)-3-phenylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(6-amino-3-pyridyl)methyl]-1-[(2R,3S)-3-phenylprolyl]pyrrolidine-2-carboxamide Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2C(CCN2)C3=CC=CC=C3)C(=O)NCC4=CN=C(C=C4)N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H]2[C@@H](CCN2)C3=CC=CC=C3)C(=O)NCC4=CN=C(C=C4)N

InChI

InChI=1S/C22H27N5O2/c23-19-9-8-15(13-25-19)14-26-21(28)18-7-4-12-27(18)22(29)20-17(10-11-24-20)16-5-2-1-3-6-16/h1-3,5-6,8-9,13,17-18,20,24H,4,7,10-12,14H2,(H2,23,25)(H,26,28)/t17-,18-,20+/m0/s1