N-[(3-azanyl-4-carbamimidoyl-phenyl)methyl]-1-[3,3-diphenyl-2-(sulfamoylamino)propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[(3-azanyl-4-carbamimidoyl-phenyl)methyl]-1-[3,3-diphenyl-2-(sulfamoylamino)propanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[(3-amino-4-carbamimidoyl-phenyl)methyl]-1-[3,3-diphenyl-2-(sulfamoylamino)propanoyl]pyrrolidine-2-carboxamide CAS Name: N-[(3-amino-4-carbamimidoylphenyl)methyl]-1-[1-oxo-3,3-diphenyl-2-(sulfamoylamino)propyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(3-amino-4-carbamimidoylphenyl)methyl]-1-[3,3-diphenyl-2-(sulfamoylamino)propanoyl]pyrrolidine-2-carboxamide Traditional Name: N-(4-amidino-3-amino-benzyl)-1-[3,3-diphenyl-2-(sulfamoylamino)propanoyl]pyrrolidine-2-carboxamide Formula: C28H33N7O4S MolecularWeight: 563.67112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(C(C2=CC=CC=C2)C3=CC=CC=C3)NS(=O)(=O)N)C(=O)NCC4=CC(=C(C=C4)C(=N)N)N

Isomeric SMILES

C1CC(N(C1)C(=O)C(C(C2=CC=CC=C2)C3=CC=CC=C3)NS(=O)(=O)N)C(=O)NCC4=CC(=C(C=C4)C(=N)N)N

InChI

InChI=1S/C28H33N7O4S/c29-22-16-18(13-14-21(22)26(30)31)17-33-27(36)23-12-7-15-35(23)28(37)25(34-40(32,38)39)24(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,13-14,16,23-25,34H,7,12,15,17,29H2,(H3,30,31)(H,33,36)(H2,32,38,39)