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Summary Geometry Related PDB entries

55Y

Summary

Name:	(5R)-5-[(1R)-1-{[6-(1-methyl-1H-pyrazol-4-yl)-2,1-benzothiazol-4-yl]oxy}ethyl]-1,3-oxazolidin-2-one
Formula:	C16 H16 N4 O3 S
Formal charge:	0
Formula weight:	344.388 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(5R)-5-[(1R)-1-{[6-(1-methyl-1H-pyrazol-4-yl)-2,1-benzothiazol-4-yl]oxy}ethyl]-1,3-oxazolidin-2-one
OpenEye OEToolkits	1.9.2	(5R)-5-[(1R)-1-[[6-(1-methylpyrazol-4-yl)-2,1-benzothiazol-4-yl]oxy]ethyl]-1,3-oxazolidin-2-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n4(ncc(c3cc1nscc1c(OC(C2OC(NC2)=O)C)c3)c4)C
InChI	InChI	1.03	InChI=1S/C16H16N4O3S/c1-9(15-6-17-16(21)23-15)22-14-4-10(11-5-18-20(2)7-11)3-13-12(14)8-24-19-13/h3-5,7-9,15H,6H2,1-2H3,(H,17,21)/t9-,15-/m1/s1
InChIKey	InChI	1.03	MKTGBKHCRFUALQ-RFAUZJTJSA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@@H](Oc1cc(cc2nscc12)c3cnn(C)c3)[C@H]4CNC(=O)O4
SMILES	CACTVS	3.385	C[CH](Oc1cc(cc2nscc12)c3cnn(C)c3)[CH]4CNC(=O)O4
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	C[C@H]([C@H]1CNC(=O)O1)Oc2cc(cc3c2csn3)c4cnn(c4)C
SMILES	OpenEye OEToolkits	1.9.2	CC(C1CNC(=O)O1)Oc2cc(cc3c2csn3)c4cnn(c4)C

227111

건을2024-11-06부터공개중

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