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

Systemtic Name: 1-[2-(butylsulfonylamino)-3-oxidanyl-propanoyl]-N-[(4-carbamimidoylphenyl)methyl]azetidine-2-carboxamide Openeye Name: 1-[2-(butylsulfonylamino)-3-hydroxy-propanoyl]-N-[(4-carbamimidoylphenyl)methyl]azetidine-2-carboxamide CAS Name: 1-[2-(butylsulfonylamino)-3-hydroxy-1-oxopropyl]-N-[(4-carbamimidoylphenyl)methyl]-2-azetidinecarboxamide IUPAC Name: 1-[2-(butylsulfonylamino)-3-hydroxypropanoyl]-N-[(4-carbamimidoylphenyl)methyl]azetidine-2-carboxamide Traditional Name: N-(4-amidinobenzyl)-1-[2-(butylsulfonylamino)-3-hydroxy-propanoyl]azetidine-2-carboxamide Formula: C19H29N5O5S MolecularWeight: 439.52906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CO)C(=O)N1CCC1C(=O)NCC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCCCS(=O)(=O)NC(CO)C(=O)N1CCC1C(=O)NCC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C19H29N5O5S/c1-2-3-10-30(28,29)23-15(12-25)19(27)24-9-8-16(24)18(26)22-11-13-4-6-14(7-5-13)17(20)21/h4-7,15-16,23,25H,2-3,8-12H2,1H3,(H3,20,21)(H,22,26)