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

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-1-[3-oxidanyl-2-[(phenylmethyl)sulfonylamino]propanoyl]azetidine-2-carboxamide Openeye Name: 1-[2-(benzylsulfonylamino)-3-hydroxy-propanoyl]-N-[(4-carbamimidoylphenyl)methyl]azetidine-2-carboxamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-1-[3-hydroxy-1-oxo-2-[(phenylmethyl)sulfonylamino]propyl]-2-azetidinecarboxamide IUPAC Name: 1-[2-(benzylsulfonylamino)-3-hydroxypropanoyl]-N-[(4-carbamimidoylphenyl)methyl]azetidine-2-carboxamide Traditional Name: N-(4-amidinobenzyl)-1-[2-(benzylsulfonylamino)-3-hydroxy-propanoyl]azetidine-2-carboxamide Formula: C22H27N5O5S MolecularWeight: 473.54528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1C(=O)NCC2=CC=C(C=C2)C(=N)N)C(=O)C(CO)NS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(C1C(=O)NCC2=CC=C(C=C2)C(=N)N)C(=O)C(CO)NS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N5O5S/c23-20(24)17-8-6-15(7-9-17)12-25-21(29)19-10-11-27(19)22(30)18(13-28)26-33(31,32)14-16-4-2-1-3-5-16/h1-9,18-19,26,28H,10-14H2,(H3,23,24)(H,25,29)