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Summary Geometry Related PDB entries

ZYK

Summary

Name:	(4R)-4-({[(3,4-dimethoxyphenyl)carbonyl]amino}oxy)-L-proline
Synonyms:	3,4-dimethoxybenzamidoxy proline
Formula:	C14 H18 N2 O6
Formal charge:	0
Formula weight:	310.303 Da
Component type:	L-peptide linking

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(4R)-4-{[(3,4-dimethoxybenzoyl)amino]oxy}-L-proline
OpenEye OEToolkits	1.7.0	(2S,4R)-4-[(3,4-dimethoxyphenyl)carbonylamino]oxypyrrolidine-2-carboxylic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NOC1CC(C(=O)O)NC1)c2ccc(OC)c(OC)c2
SMILES_CANONICAL	CACTVS	3.370	COc1ccc(cc1OC)C(=O)NO[C@H]2CN[C@@H](C2)C(O)=O
SMILES	CACTVS	3.370	COc1ccc(cc1OC)C(=O)NO[CH]2CN[CH](C2)C(O)=O
SMILES_CANONICAL	OpenEye OEToolkits	1.7.0	COc1ccc(cc1OC)C(=O)NO[C@@H]2C[C@H](NC2)C(=O)O
SMILES	OpenEye OEToolkits	1.7.0	COc1ccc(cc1OC)C(=O)NOC2CC(NC2)C(=O)O
InChI	InChI	1.03	InChI=1S/C14H18N2O6/c1-20-11-4-3-8(5-12(11)21-2)13(17)16-22-9-6-10(14(18)19)15-7-9/h3-5,9-10,15H,6-7H2,1-2H3,(H,16,17)(H,18,19)/t9-,10+/m1/s1
InChIKey	InChI	1.03	WPKMWFSKVVSYBX-ZJUUUORDSA-N

219869

PDB entries from 2024-05-15

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