PYL

PYRROLYSINE

Created:	1999-07-08
Last modified:	2024-02-07

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2 entries where PYL is found as a standalone ligand8 entries where PYL is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	3
Bond Count	39
Aromatic Bond Count	0

2D diagram of PYL

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Chemical Component Summary
Name	PYRROLYSINE
Systematic Name (OpenEye OEToolkits)	(2S)-2-azanyl-6-[[(2R,3R)-3-methyl-3,4-dihydro-2H-pyrrol-2-yl]carbonylamino]hexanoic acid
Formula	C₁₂ H₂₁ N₃ O₃
Molecular Weight	255.313
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NCCCCC(C(=O)O)N)C1N=CCC1C
SMILES	CACTVS	3.385	C[CH]1CC=N[CH]1C(=O)NCCCC[CH](N)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	CC1CC=NC1C(=O)NCCCCC(C(=O)O)N
Canonical SMILES	CACTVS	3.385	C[C@@H]1CC=N[C@H]1C(=O)NCCCC[C@H](N)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C[C@@H]1CC=N[C@H]1C(=O)NCCCC[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C12H21N3O3/c1-8-5-7-14-10(8)11(16)15-6-3-2-4-9(13)12(17)18/h7-10H,2-6,13H2,1H3,(H,15,16)(H,17,18)/t8-,9+,10-/m1/s1
InChIKey	InChI	1.03	ZFOMKMMPBOQKMC-KXUCPTDWSA-N

Related Resource References

Resource Name	Reference
PubChem	23657811, 5460671
ChEBI	CHEBI:21860, CHEBI:58499

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