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Summary Geometry Related PDB entries

A1L2L

Summary

Name:	2-[[1-(cyclopropylmethoxy)-2-oxidanyl-4-oxidanylidene-quinolin-3-yl]carbonylamino]ethanoic acid
Formula:	C16 H16 N2 O6
Formal charge:	0
Formula weight:	332.308 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	2-[[1-(cyclopropylmethoxy)-2-oxidanyl-4-oxidanylidene-quinolin-3-yl]carbonylamino]ethanoic acid

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C16H16N2O6/c19-12(20)7-17-15(22)13-14(21)10-3-1-2-4-11(10)18(16(13)23)24-8-9-5-6-9/h1-4,9,23H,5-8H2,(H,17,22)(H,19,20)
InChIKey	InChI	1.06	UWIIFTJFUAMASV-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	OC(=O)CNC(=O)C1=C(O)N(OCC2CC2)c3ccccc3C1=O
SMILES	CACTVS	3.385	OC(=O)CNC(=O)C1=C(O)N(OCC2CC2)c3ccccc3C1=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)C(=O)C(=C(N2OCC3CC3)O)C(=O)NCC(=O)O
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)C(=O)C(=C(N2OCC3CC3)O)C(=O)NCC(=O)O

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PDB entries from 2026-03-11

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