A1H11

Veralipride, (R)-

Created:	2024-01-10
Last modified:	2025-01-15

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2 entries where A1H11 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	51
Chiral Atom Count	1
Bond Count	52
Aromatic Bond Count	6

2D diagram of A1H11

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Chemical Component Summary
Name	Veralipride, (R)-
Synonyms	2,3-dimethoxy-N-[[(2R)-1-prop-2-enylpyrrolidin-2-yl]methyl]-5-sulfamoyl-benzamide; Veralipride
Systematic Name (OpenEye OEToolkits)	2,3-dimethoxy-~{N}-[[(2~{R})-1-prop-2-enylpyrrolidin-2-yl]methyl]-5-sulfamoyl-benzamide
Formula	C₁₇ H₂₅ N₃ O₅ S
Molecular Weight	383.463
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1cc(cc(C(=O)NC[CH]2CCCN2CC=C)c1OC)[S](N)(=O)=O
SMILES	OpenEye OEToolkits	2.0.7	COc1cc(cc(c1OC)C(=O)NCC2CCCN2CC=C)S(=O)(=O)N
Canonical SMILES	CACTVS	3.385	COc1cc(cc(C(=O)NC[C@H]2CCCN2CC=C)c1OC)[S](N)(=O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	COc1cc(cc(c1OC)C(=O)NC[C@H]2CCCN2CC=C)S(=O)(=O)N
InChI	InChI	1.06	InChI=1S/C17H25N3O5S/c1-4-7-20-8-5-6-12(20)11-19-17(21)14-9-13(26(18,22)23)10-15(24-2)16(14)25-3/h4,9-10,12H,1,5-8,11H2,2-3H3,(H,19,21)(H2,18,22,23)/t12-/m1/s1
InChIKey	InChI	1.06	RYJXBGGBZJGVQF-GFCCVEGCSA-N

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.