N-[(4-carbamimidoylphenyl)methyl]-1-[3-oxidanyl-2-(phenethylsulfonylamino)propanoyl]azetidine-2-carboxamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-1-[3-oxidanyl-2-(phenethylsulfonylamino)propanoyl]azetidine-2-carboxamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-1-[3-hydroxy-2-(phenethylsulfonylamino)propanoyl]azetidine-2-carboxamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-1-[3-hydroxy-1-oxo-2-(phenethylsulfonylamino)propyl]-2-azetidinecarboxamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-1-[3-hydroxy-2-(phenethylsulfonylamino)propanoyl]azetidine-2-carboxamide Traditional Name: N-(4-amidinobenzyl)-1-[3-hydroxy-2-(phenethylsulfonylamino)propanoyl]azetidine-2-carboxamide Formula: C23H29N5O5S MolecularWeight: 487.57186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1C(=O)NCC2=CC=C(C=C2)C(=N)N)C(=O)C(CO)NS(=O)(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CN(C1C(=O)NCC2=CC=C(C=C2)C(=N)N)C(=O)C(CO)NS(=O)(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C23H29N5O5S/c24-21(25)18-8-6-17(7-9-18)14-26-22(30)20-10-12-28(20)23(31)19(15-29)27-34(32,33)13-11-16-4-2-1-3-5-16/h1-9,19-20,27,29H,10-15H2,(H3,24,25)(H,26,30)