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Summary Geometry Related PDB entries

UHG

Summary

Name:	(2R)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid
Formula:	C15 H12 Cl N O2
Formal charge:	0
Formula weight:	273.714 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2R)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid
OpenEye OEToolkits	2.0.7	(2~{R})-2-(6-chloranyl-9~{H}-carbazol-2-yl)propanoic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c3cc2c1cc(Cl)ccc1nc2cc3C(C)C(O)=O
InChI	InChI	1.03	InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)/t8-/m1/s1
InChIKey	InChI	1.03	PUXBGTOOZJQSKH-MRVPVSSYSA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@@H](C(O)=O)c1ccc2c([nH]c3ccc(Cl)cc23)c1
SMILES	CACTVS	3.385	C[CH](C(O)=O)c1ccc2c([nH]c3ccc(Cl)cc23)c1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	C[C@H](c1ccc2c3cc(ccc3[nH]c2c1)Cl)C(=O)O
SMILES	OpenEye OEToolkits	2.0.7	CC(c1ccc2c3cc(ccc3[nH]c2c1)Cl)C(=O)O

218196

PDB entries from 2024-04-10

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