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Summary Geometry Related PDB entries

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Summary

Name:	(2R)-1-(9H-carbazol-9-yl)-3-(cyclopentylamino)propan-2-ol
Formula:	C20 H24 N2 O
Formal charge:	0
Formula weight:	308.417 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2R)-1-(9H-carbazol-9-yl)-3-(cyclopentylamino)propan-2-ol
OpenEye OEToolkits	2.0.7	(2~{R})-1-carbazol-9-yl-3-(cyclopentylamino)propan-2-ol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OC(CNC1CCCC1)Cn1c2ccccc2c2ccccc21
InChI	InChI	1.06	InChI=1S/C20H24N2O/c23-16(13-21-15-7-1-2-8-15)14-22-19-11-5-3-9-17(19)18-10-4-6-12-20(18)22/h3-6,9-12,15-16,21,23H,1-2,7-8,13-14H2/t16-/m1/s1
InChIKey	InChI	1.06	UIWHEXAVANZGHK-MRXNPFEDSA-N
SMILES_CANONICAL	CACTVS	3.385	O[C@H](CNC1CCCC1)Cn2c3ccccc3c4ccccc24
SMILES	CACTVS	3.385	O[CH](CNC1CCCC1)Cn2c3ccccc3c4ccccc24
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)c3ccccc3n2C[C@@H](CNC4CCCC4)O
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)c3ccccc3n2CC(CNC4CCCC4)O

222415

PDB entries from 2024-07-10

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