OIC

OCTAHYDROINDOLE-2-CARBOXYLIC ACID

Created:	1999-07-08
Last modified:	2024-09-27

Find Related PDB Entry
5 entries where OIC is found in a polymer sequence

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	3
Bond Count	28
Aromatic Bond Count	0

2D diagram of OIC

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	OCTAHYDROINDOLE-2-CARBOXYLIC ACID
Systematic Name (OpenEye OEToolkits)	(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid
Formula	C₉ H₁₅ N O₂
Molecular Weight	169.221
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C1NC2CCCCC2C1
SMILES	CACTVS	3.370	OC(=O)[CH]1C[CH]2CCCC[CH]2N1
SMILES	OpenEye OEToolkits	1.7.0	C1CCC2C(C1)CC(N2)C(=O)O
Canonical SMILES	CACTVS	3.370	OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1
Canonical SMILES	OpenEye OEToolkits	1.7.0	C1CC[C@H]2[C@@H](C1)C[C@H](N2)C(=O)O
InChI	InChI	1.03	InChI=1S/C9H15NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h6-8,10H,1-5H2,(H,11,12)/t6-,7-,8-/m0/s1
InChIKey	InChI	1.03	CQYBNXGHMBNGCG-FXQIFTODSA-N

Drug Info: DrugBank

DrugBank ID	DB03409
Name	L-Octahydroindole-2-carboxylic acid
Groups	experimental
Synonyms	Perindopril impurity A (2S,3aS,7aS)-Octahydroindole-2-carboxylic acid L-Octahydroindole-2-carboxylic acid (2S,3aS,7aS)-2-Carboxyoctahydroindole
CAS number	80875-98-5

Related Resource References

Resource Name	Reference
PubChem	7408451, 7408452

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.