(2S)-N-[(4-carbamimidoyl-2-methoxy-phenyl)methyl]-1-[(2S)-3-phenylpyrrolidin-2-yl]carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(4-carbamimidoyl-2-methoxy-phenyl)methyl]-1-[(2S)-3-phenylpyrrolidin-2-yl]carbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(4-carbamimidoyl-2-methoxy-phenyl)methyl]-1-[(2S)-3-phenylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(4-carbamimidoyl-2-methoxyphenyl)methyl]-1-[oxo-[(2S)-3-phenyl-2-pyrrolidinyl]methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(4-carbamimidoyl-2-methoxyphenyl)methyl]-1-[(2S)-3-phenylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(4-amidino-2-methoxy-benzyl)-1-[(2S)-3-phenylprolyl]pyrrolidine-2-carboxamide Formula: C25H31N5O3 MolecularWeight: 449.54534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=N)N)CNC(=O)C2CCCN2C(=O)C3C(CCN3)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=N)N)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]3C(CCN3)C4=CC=CC=C4

InChI

InChI=1S/C25H31N5O3/c1-33-21-14-17(23(26)27)9-10-18(21)15-29-24(31)20-8-5-13-30(20)25(32)22-19(11-12-28-22)16-6-3-2-4-7-16/h2-4,6-7,9-10,14,19-20,22,28H,5,8,11-13,15H2,1H3,(H3,26,27)(H,29,31)/t19?,20-,22-/m0/s1