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Summary Geometry Related PDB entries

2T4

Summary

Name:	{[(2-amino-8H-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid
Formula:	C11 H11 N2 O4 P S
Formal charge:	0
Formula weight:	298.255 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	11.02	{[(2-amino-8H-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid
OpenEye OEToolkits	1.6.1	(2-azanyl-4H-indeno[1,2-d][1,3]thiazol-8-yl)oxymethylphosphonic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	11.02	O=P(O)(O)COc1c2c(ccc1)Cc3sc(nc23)N
SMILES_CANONICAL	CACTVS	3.352	Nc1sc2Cc3cccc(OC[P](O)(O)=O)c3c2n1
SMILES	CACTVS	3.352	Nc1sc2Cc3cccc(OC[P](O)(O)=O)c3c2n1
SMILES_CANONICAL	OpenEye OEToolkits	1.7.0	c1cc2c(c(c1)OCP(=O)(O)O)-c3c(sc(n3)N)C2
SMILES	OpenEye OEToolkits	1.7.0	c1cc2c(c(c1)OCP(=O)(O)O)-c3c(sc(n3)N)C2
InChI	InChI	1.03	InChI=1S/C11H11N2O4PS/c12-11-13-10-8(19-11)4-6-2-1-3-7(9(6)10)17-5-18(14,15)16/h1-3H,4-5H2,(H2,12,13)(H2,14,15,16)
InChIKey	InChI	1.03	UVWYMQWTZQHZHH-UHFFFAOYSA-N

221716

PDB entries from 2024-06-26

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