N-[(4-carbamimidoyl-2-methoxy-phenyl)methyl]-4-[2-(methoxyamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[(4-carbamimidoyl-2-methoxy-phenyl)methyl]-4-[2-(methoxyamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[(4-carbamimidoyl-2-methoxy-phenyl)methyl]-4-[2-(methoxyamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide CAS Name: N-[(4-carbamimidoyl-2-methoxyphenyl)methyl]-4-[2-(methoxyamino)-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(4-carbamimidoyl-2-methoxyphenyl)methyl]-4-[2-(methoxyamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide Traditional Name: N-(4-amidino-2-methoxy-benzyl)-4-[2-(methoxyamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide Formula: C24H31N5O4 MolecularWeight: 453.53404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=N)N)CNC(=O)C2CC(CN2)C(=O)C(CC3=CC=CC=C3)NOC

Isomeric SMILES

COC1=C(C=CC(=C1)C(=N)N)CNC(=O)C2CC(CN2)C(=O)C(CC3=CC=CC=C3)NOC

InChI

InChI=1S/C24H31N5O4/c1-32-21-12-16(23(25)26)8-9-17(21)13-28-24(31)20-11-18(14-27-20)22(30)19(29-33-2)10-15-6-4-3-5-7-15/h3-9,12,18-20,27,29H,10-11,13-14H2,1-2H3,(H3,25,26)(H,28,31)