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Summary Geometry Related PDB entries

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Summary

Name:	(2~{S})-2-azanyl-7-(naphthalen-1-ylmethoxy)-3,4-dihydro-1~{H}-naphthalene-2-carboxylic acid
Formula:	C22 H21 N O3
Formal charge:	0
Formula weight:	347.407 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	(2~{S})-2-azanyl-7-(naphthalen-1-ylmethoxy)-3,4-dihydro-1~{H}-naphthalene-2-carboxylic acid

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C22H21NO3/c23-22(21(24)25)11-10-15-8-9-19(12-18(15)13-22)26-14-17-6-3-5-16-4-1-2-7-20(16)17/h1-9,12H,10-11,13-14,23H2,(H,24,25)/t22-/m0/s1
InChIKey	InChI	1.03	HRZHVSYWPDDNHF-QFIPXVFZSA-N
SMILES_CANONICAL	CACTVS	3.385	N[C@]1(CCc2ccc(OCc3cccc4ccccc34)cc2C1)C(O)=O
SMILES	CACTVS	3.385	N[C]1(CCc2ccc(OCc3cccc4ccccc34)cc2C1)C(O)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)cccc2COc3ccc4c(c3)C[C@@](CC4)(C(=O)O)N
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)cccc2COc3ccc4c(c3)CC(CC4)(C(=O)O)N

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