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

ZA6

Summary

Name:	(1S)-N-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methyl-1-(thiophen-2-yl)ethan-1-amine
Formula:	C23 H23 N3 O S
Formal charge:	0
Formula weight:	389.513 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(1S)-N-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methyl-1-(thiophen-2-yl)ethan-1-amine
OpenEye OEToolkits	2.0.7	(1~{S})-~{N}-[[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-~{N}-methyl-1-thiophen-2-yl-ethanamine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC(N(C)Cc1nc(no1)C(c1ccccc1)c1ccccc1)c1cccs1
InChI	InChI	1.06	InChI=1S/C23H23N3OS/c1-17(20-14-9-15-28-20)26(2)16-21-24-23(25-27-21)22(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-15,17,22H,16H2,1-2H3/t17-/m0/s1
InChIKey	InChI	1.06	YMVZNLFSCPAPNW-KRWDZBQOSA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@H](N(C)Cc1onc(n1)C(c2ccccc2)c3ccccc3)c4sccc4
SMILES	CACTVS	3.385	C[CH](N(C)Cc1onc(n1)C(c2ccccc2)c3ccccc3)c4sccc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	C[C@@H](c1cccs1)N(C)Cc2nc(no2)C(c3ccccc3)c4ccccc4
SMILES	OpenEye OEToolkits	2.0.7	CC(c1cccs1)N(C)Cc2nc(no2)C(c3ccccc3)c4ccccc4

222415

건을2024-07-10부터공개중

PDB statistics

PDBj update info

Contact PDBj

numon