N-[(4-carbamimidoylphenyl)methyl]-1-[3-(4-hydroxyphenyl)-2-(sulfamoylamino)propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-1-[3-(4-hydroxyphenyl)-2-(sulfamoylamino)propanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-1-[3-(4-hydroxyphenyl)-2-(sulfamoylamino)propanoyl]pyrrolidine-2-carboxamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-1-[3-(4-hydroxyphenyl)-1-oxo-2-(sulfamoylamino)propyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-1-[3-(4-hydroxyphenyl)-2-(sulfamoylamino)propanoyl]pyrrolidine-2-carboxamide Traditional Name: N-(4-amidinobenzyl)-1-[3-(4-hydroxyphenyl)-2-(sulfamoylamino)propanoyl]pyrrolidine-2-carboxamide Formula: C22H28N6O5S MolecularWeight: 488.55992

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=C(C=C2)O)NS(=O)(=O)N)C(=O)NCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC2=CC=C(C=C2)O)NS(=O)(=O)N)C(=O)NCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H28N6O5S/c23-20(24)16-7-3-15(4-8-16)13-26-21(30)19-2-1-11-28(19)22(31)18(27-34(25,32)33)12-14-5-9-17(29)10-6-14/h3-10,18-19,27,29H,1-2,11-13H2,(H3,23,24)(H,26,30)(H2,25,32,33)