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Summary Geometry Related PDB entries

N00

Summary

Name:	(2R)-2-(6-chloro-1-methyl-9H-carbazol-2-yl)propanoic acid
Formula:	C16 H14 Cl N O2
Formal charge:	0
Formula weight:	287.741 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2R)-2-(6-chloro-1-methyl-9H-carbazol-2-yl)propanoic acid
OpenEye OEToolkits	2.0.7	(2~{R})-2-(6-chloranyl-1-methyl-9~{H}-carbazol-2-yl)propanoic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(C)c1ccc2c3cc(Cl)ccc3[NH]c2c1C
InChI	InChI	1.06	InChI=1S/C16H14ClNO2/c1-8-11(9(2)16(19)20)4-5-12-13-7-10(17)3-6-14(13)18-15(8)12/h3-7,9,18H,1-2H3,(H,19,20)/t9-/m1/s1
InChIKey	InChI	1.06	ISYVWNKBJIDJSU-SECBINFHSA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@@H](C(O)=O)c1ccc2c([nH]c3ccc(Cl)cc23)c1C
SMILES	CACTVS	3.385	C[CH](C(O)=O)c1ccc2c([nH]c3ccc(Cl)cc23)c1C
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1c(ccc2c1[nH]c3c2cc(cc3)Cl)[C@@H](C)C(=O)O
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(ccc2c1[nH]c3c2cc(cc3)Cl)C(C)C(=O)O

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