V9X

3-(1H-indol-3-yl)propanamide

Created:	2022-08-29
Last modified:	2022-11-02

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1 entries where V9X is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	27
Aromatic Bond Count	10

2D diagram of V9X

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Chemical Component Summary
Name	3-(1H-indol-3-yl)propanamide
Systematic Name (OpenEye OEToolkits)	3-(1~{H}-indol-3-yl)propanamide
Formula	C₁₁ H₁₂ N₂ O
Molecular Weight	188.226
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	NC(=O)CCc1c[NH]c2ccccc21
SMILES	CACTVS	3.385	NC(=O)CCc1c[nH]c2ccccc12
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)c(c[nH]2)CCC(=O)N
Canonical SMILES	CACTVS	3.385	NC(=O)CCc1c[nH]c2ccccc12
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)c(c[nH]2)CCC(=O)N
InChI	InChI	1.06	InChI=1S/C11H12N2O/c12-11(14)6-5-8-7-13-10-4-2-1-3-9(8)10/h1-4,7,13H,5-6H2,(H2,12,14)
InChIKey	InChI	1.06	OTVHXWFANORBAK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	351791
ChEMBL	CHEMBL1338144

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.