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Summary Geometry Related PDB entries

MWO

Summary

Name:	(4-{[(5S)-3-(piperidin-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid
Formula:	C15 H26 N4 O3
Formal charge:	0
Formula weight:	310.392 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(4-{[(5S)-3-(piperidin-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid
OpenEye OEToolkits	2.0.7	2-[4-[[(5~{S})-3-piperidin-4-yl-4,5-dihydro-1,2-oxazol-5-yl]methyl]piperazin-1-yl]ethanoic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)CN1CCN(CC1)CC1CC(=NO1)C1CCNCC1
InChI	InChI	1.03	InChI=1S/C15H26N4O3/c20-15(21)11-19-7-5-18(6-8-19)10-13-9-14(17-22-13)12-1-3-16-4-2-12/h12-13,16H,1-11H2,(H,20,21)/t13-/m0/s1
InChIKey	InChI	1.03	MFCBVLDAOOBZRT-ZDUSSCGKSA-N
SMILES_CANONICAL	CACTVS	3.385	OC(=O)CN1CCN(CC1)C[C@@H]2CC(=NO2)C3CCNCC3
SMILES	CACTVS	3.385	OC(=O)CN1CCN(CC1)C[CH]2CC(=NO2)C3CCNCC3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	C1CNCCC1C2=NO[C@@H](C2)CN3CCN(CC3)CC(=O)O
SMILES	OpenEye OEToolkits	2.0.7	C1CNCCC1C2=NOC(C2)CN3CCN(CC3)CC(=O)O

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