A1IRV

1-carbamimidoyl-3-[2-(4-sulfamoylphenyl)ethyl]guanidine

Created:	2024-10-14
Last modified:	2025-10-29

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1 entries where A1IRV is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	6

2D diagram of A1IRV

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Chemical Component Summary
Name	1-carbamimidoyl-3-[2-(4-sulfamoylphenyl)ethyl]guanidine
Synonyms	1-carbamimidamido-N-[2-(4-sulfamoylphenyl)ethyl]methanimidamide
Systematic Name (OpenEye OEToolkits)	1-carbamimidoyl-3-[2-(4-sulfamoylphenyl)ethyl]guanidine
Formula	C₁₀ H₁₆ N₆ O₂ S
Molecular Weight	284.338
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NC(=N)NC(=N)NCCc1ccc(cc1)[S](N)(=O)=O
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1CCNC(=N)NC(=N)N)S(=O)(=O)N
Canonical SMILES	CACTVS	3.385	NC(=N)NC(=N)NCCc1ccc(cc1)[S](N)(=O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	[H]/N=C(/N)\N/C(=N\[H])/NCCc1ccc(cc1)S(=O)(=O)N
InChI	InChI	1.06	InChI=1S/C10H16N6O2S/c11-9(12)16-10(13)15-6-5-7-1-3-8(4-2-7)19(14,17)18/h1-4H,5-6H2,(H2,14,17,18)(H6,11,12,13,15,16)
InChIKey	InChI	1.06	QRPJLVINULAAJE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	115280244
ChEMBL	CHEMBL4116897

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.