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Summary Geometry Related PDB entries

4ZZ

Summary

Name:	ethyl N-{[3-(3-aminopyridin-4-yl)benzyl]carbamoyl}glycinate
Formula:	C17 H20 N4 O3
Formal charge:	0
Formula weight:	328.366 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	ethyl N-{[3-(3-aminopyridin-4-yl)benzyl]carbamoyl}glycinate
OpenEye OEToolkits	1.9.2	ethyl 2-[[3-(3-azanylpyridin-4-yl)phenyl]methylcarbamoylamino]ethanoate

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2(c1c(cncc1)N)cccc(c2)CNC(NCC(=O)OCC)=O
InChI	InChI	1.03	InChI=1S/C17H20N4O3/c1-2-24-16(22)11-21-17(23)20-9-12-4-3-5-13(8-12)14-6-7-19-10-15(14)18/h3-8,10H,2,9,11,18H2,1H3,(H2,20,21,23)
InChIKey	InChI	1.03	BMVIHQIQLWPWDF-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCOC(=O)CNC(=O)NCc1cccc(c1)c2ccncc2N
SMILES	CACTVS	3.385	CCOC(=O)CNC(=O)NCc1cccc(c1)c2ccncc2N
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	CCOC(=O)CNC(=O)NCc1cccc(c1)c2ccncc2N
SMILES	OpenEye OEToolkits	1.9.2	CCOC(=O)CNC(=O)NCc1cccc(c1)c2ccncc2N

227344

PDB entries from 2024-11-13

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