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Summary Geometry Related PDB entries

4KY

Summary

Name:	(4R)-1-acetyl-4-(oct-7-en-1-yloxy)-L-proline
Formula:	C15 H25 N O4
Formal charge:	0
Formula weight:	283.363 Da
Component type:	peptide linking

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(4R)-1-acetyl-4-(oct-7-en-1-yloxy)-L-proline
OpenEye OEToolkits	1.9.2	(2S,4R)-1-ethanoyl-4-oct-7-enoxy-pyrrolidine-2-carboxylic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(=C)\CCCCCCOC1CC(C(=O)O)N(C1)C(C)=O
InChI	InChI	1.03	InChI=1S/C15H25NO4/c1-3-4-5-6-7-8-9-20-13-10-14(15(18)19)16(11-13)12(2)17/h3,13-14H,1,4-11H2,2H3,(H,18,19)/t13-,14+/m1/s1
InChIKey	InChI	1.03	AGAQQODVIZZKQQ-KGLIPLIRSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(=O)N1C[C@@H](C[C@H]1C(O)=O)OCCCCCCC=C
SMILES	CACTVS	3.385	CC(=O)N1C[CH](C[CH]1C(O)=O)OCCCCCCC=C
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	CC(=O)N1C[C@@H](C[C@H]1C(=O)O)OCCCCCCC=C
SMILES	OpenEye OEToolkits	1.9.2	CC(=O)N1CC(CC1C(=O)O)OCCCCCCC=C

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PDB entries from 2024-10-09

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