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Summary

Name:	2-HYDROXY-5-[4-(2-HYDROXY-ETHYL)-PIPERIDIN-1-YL]-5-PHENYL-1H-PYRIMIDINE-4,6-DIONE
Formula:	C17 H21 N3 O4
Formal charge:	0
Formula weight:	331.366 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	(5R)-2-hydroxy-5-[4-(2-hydroxyethyl)piperidin-1-yl]-5-phenylpyrimidine-4,6(1H,5H)-dione
OpenEye OEToolkits	1.5.0	(5R)-2-hydroxy-5-[4-(2-hydroxyethyl)piperidin-1-yl]-5-phenyl-1H-pyrimidine-4,6-dione

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C2NC(=NC(=O)C2(c1ccccc1)N3CCC(CC3)CCO)O
SMILES_CANONICAL	CACTVS	3.341	OCC[C@H]1CCN(CC1)[C@@]2(C(=O)NC(=NC2=O)O)c3ccccc3
SMILES	CACTVS	3.341	OCC[CH]1CCN(CC1)[C]2(C(=O)NC(=NC2=O)O)c3ccccc3
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	c1ccc(cc1)[C@]2(C(=O)NC(=NC2=O)O)N3CCC(CC3)CCO
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)C2(C(=O)NC(=NC2=O)O)N3CCC(CC3)CCO
InChI	InChI	1.03	InChI=1S/C17H21N3O4/c21-11-8-12-6-9-20(10-7-12)17(13-4-2-1-3-5-13)14(22)18-16(24)19-15(17)23/h1-5,12,21H,6-11H2,(H2,18,19,22,23,24)
InChIKey	InChI	1.03	IPBPOBHSNJFRFT-UHFFFAOYSA-N

224931

PDB entries from 2024-09-11

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