English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

4YQ

Summary

Name:	4-cyclopropyl-2-(2-hydroxyethyloxy)-N-[(1S,3R)-5-oxidanyl-2-adamantyl]-1,3-thiazole-5-carboxamide
Formula:	C19 H26 N2 O4 S
Formal charge:	0
Formula weight:	378.486 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-cyclopropyl-2-(2-hydroxyethoxy)-N-[(1R,2s,3S,5s,7s)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]-1,3-thiazole-5-carboxamide
OpenEye OEToolkits	1.9.2	4-cyclopropyl-2-(2-hydroxyethyloxy)-N-[(1S,3R)-5-oxidanyl-2-adamantyl]-1,3-thiazole-5-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c1sc(OCCO)nc1C2CC2)NC5C4CC3CC5CC(O)(C3)C4
InChI	InChI	1.03	InChI=1S/C19H26N2O4S/c22-3-4-25-18-21-15(11-1-2-11)16(26-18)17(23)20-14-12-5-10-6-13(14)9-19(24,7-10)8-12/h10-14,22,24H,1-9H2,(H,20,23)/t10-,12-,13+,14-,19-
InChIKey	InChI	1.03	NJXRHIKVLFLBME-WCUHCKLXSA-N
SMILES_CANONICAL	CACTVS	3.385	OCCOc1sc(C(=O)NC2[C@@H]3CC4C[C@H]2CC(O)(C4)C3)c(n1)C5CC5
SMILES	CACTVS	3.385	OCCOc1sc(C(=O)NC2[CH]3CC4C[CH]2CC(O)(C4)C3)c(n1)C5CC5
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	C1CC1c2c(sc(n2)OCCO)C(=O)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O
SMILES	OpenEye OEToolkits	1.9.2	C1CC1c2c(sc(n2)OCCO)C(=O)NC3C4CC5CC3CC(C5)(C4)O

221716

PDB entries from 2024-06-26

PDB statistics

PDBj update info

Contact PDBj

numon