4Z9

(2R)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid

Created:	2015-06-30
Last modified:	2016-08-10

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2 entries where 4Z9 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	1
Bond Count	27
Aromatic Bond Count	10

2D diagram of 4Z9

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Chemical Component Summary
Name	(2R)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid
Systematic Name (OpenEye OEToolkits)	(2R)-3-(1H-indol-3-yl)-2-oxidanyl-propanoic acid
Formula	C₁₁ H₁₁ N O₃
Molecular Weight	205.21
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c12c(c(CC(C(=O)O)O)cn1)cccc2
SMILES	CACTVS	3.385	O[CH](Cc1c[nH]c2ccccc12)C(O)=O
SMILES	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)O
Canonical SMILES	CACTVS	3.385	O[C@H](Cc1c[nH]c2ccccc12)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)O)O
InChI	InChI	1.03	InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)/t10-/m1/s1
InChIKey	InChI	1.03	XGILAAMKEQUXLS-SNVBAGLBSA-N

Related Resource References

Resource Name	Reference
PubChem	676158
ChEBI	CHEBI:55528

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