A1EC0

5-[[(6-ethoxy-2~{H}-chromen-3-yl)carbonylamino]methyl]-2-methyl-furan-3-carboxylic acid

Created:	2024-10-04
Last modified:	2025-10-08

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1 entries where A1EC0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	0
Bond Count	47
Aromatic Bond Count	11

2D diagram of A1EC0

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Chemical Component Summary
Name	5-[[(6-ethoxy-2~{H}-chromen-3-yl)carbonylamino]methyl]-2-methyl-furan-3-carboxylic acid
Systematic Name (OpenEye OEToolkits)	5-[[(6-ethoxy-2~{H}-chromen-3-yl)carbonylamino]methyl]-2-methyl-furan-3-carboxylic acid
Formula	C₁₉ H₁₉ N O₆
Molecular Weight	357.357
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCOc1ccc2OCC(=Cc2c1)C(=O)NCc3oc(C)c(c3)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	CCOc1ccc2c(c1)C=C(CO2)C(=O)NCc3cc(c(o3)C)C(=O)O
Canonical SMILES	CACTVS	3.385	CCOc1ccc2OCC(=Cc2c1)C(=O)NCc3oc(C)c(c3)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCOc1ccc2c(c1)C=C(CO2)C(=O)NCc3cc(c(o3)C)C(=O)O
InChI	InChI	1.06	InChI=1S/C19H19NO6/c1-3-24-14-4-5-17-12(7-14)6-13(10-25-17)18(21)20-9-15-8-16(19(22)23)11(2)26-15/h4-8H,3,9-10H2,1-2H3,(H,20,21)(H,22,23)
InChIKey	InChI	1.06	MMBIMPICMSSTDW-UHFFFAOYSA-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.