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

Systemtic Name: (2S)-N-[(6-carbamimidoylpyridin-3-yl)methyl]-1-[(2S)-3-phenylpyrrolidin-2-yl]carbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(6-carbamimidoyl-3-pyridyl)methyl]-1-[(2S)-3-phenylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(6-carbamimidoyl-3-pyridinyl)methyl]-1-[oxo-[(2S)-3-phenyl-2-pyrrolidinyl]methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(6-carbamimidoylpyridin-3-yl)methyl]-1-[(2S)-3-phenylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(6-amidino-3-pyridyl)methyl]-1-[(2S)-3-phenylprolyl]pyrrolidine-2-carboxamide Formula: C23H28N6O2 MolecularWeight: 420.50742

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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)C(=N)N

Isomeric SMILES

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

InChI

InChI=1S/C23H28N6O2/c24-21(25)18-9-8-15(13-27-18)14-28-22(30)19-7-4-12-29(19)23(31)20-17(10-11-26-20)16-5-2-1-3-6-16/h1-3,5-6,8-9,13,17,19-20,26H,4,7,10-12,14H2,(H3,24,25)(H,28,30)/t17?,19-,20-/m0/s1