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Summary Geometry Related PDB entries

A1H7C

Summary

Name:	(4-chloranyl-1,3-thiazol-5-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate
Formula:	C27 H35 Cl N2 O6 S
Formal charge:	0
Formula weight:	551.095 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	(4-chloranyl-1,3-thiazol-5-yl)methyl (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C27H35ClN2O6S/c1-33-20-13-18(14-21(34-2)24(20)35-3)23(17-9-5-4-6-10-17)26(31)30-12-8-7-11-19(30)27(32)36-15-22-25(28)29-16-37-22/h13-14,16-17,19,23H,4-12,15H2,1-3H3/t19-,23-/m0/s1
InChIKey	InChI	1.06	BSUWGRNFALITMP-CVDCTZTESA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cc(cc(OC)c1OC)[C@H](C2CCCCC2)C(=O)N3CCCC[C@H]3C(=O)OCc4scnc4Cl
SMILES	CACTVS	3.385	COc1cc(cc(OC)c1OC)[CH](C2CCCCC2)C(=O)N3CCCC[CH]3C(=O)OCc4scnc4Cl
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	COc1cc(cc(c1OC)OC)[C@H](C2CCCCC2)C(=O)N3CCCC[C@H]3C(=O)OCc4c(ncs4)Cl
SMILES	OpenEye OEToolkits	2.0.7	COc1cc(cc(c1OC)OC)C(C2CCCCC2)C(=O)N3CCCCC3C(=O)OCc4c(ncs4)Cl

250835

PDB entries from 2026-03-18

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