PH6

(4S)-4-cyclohexyl-L-proline

Created:	2015-02-04
Last modified:	2024-09-27

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4 entries where PH6 is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	2
Bond Count	34
Aromatic Bond Count	0

2D diagram of PH6

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Chemical Component Summary
Name	(4S)-4-cyclohexyl-L-proline
Systematic Name (OpenEye OEToolkits)	(2S,4S)-4-cyclohexylpyrrolidine-2-carboxylic acid
Formula	C₁₁ H₁₉ N O₂
Molecular Weight	197.274
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C2NCC(C1CCCCC1)C2
SMILES	CACTVS	3.385	OC(=O)[CH]1C[CH](CN1)C2CCCCC2
SMILES	OpenEye OEToolkits	1.7.6	C1CCC(CC1)C2CC(NC2)C(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)[C@@H]1C[C@H](CN1)C2CCCCC2
Canonical SMILES	OpenEye OEToolkits	1.7.6	C1CCC(CC1)[C@@H]2C[C@H](NC2)C(=O)O
InChI	InChI	1.03	InChI=1S/C11H19NO2/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8/h8-10,12H,1-7H2,(H,13,14)/t9-,10+/m1/s1
InChIKey	InChI	1.03	XRZWVSXEDRYQGC-ZJUUUORDSA-N

Related Resource References

Resource Name	Reference
PubChem	9815559, 29921362
ChEMBL	CHEMBL4091905

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