7MT

Tb-Xo4

Created:	2016-11-21
Last modified:	2019-05-23

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20 entries where 7MT is found as a standalone ligand

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Chemical Details
Formal Charge	5
Atom Count	53
Chiral Atom Count	0
Bond Count	61
Aromatic Bond Count	12

2D diagram of 7MT

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Chemical Component Summary
Name	Tb-Xo4
Formula	C₂₀ H₂₃ N₅ O₄ Tb
Molecular Weight	556.353
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O=C1O[Tb]23OC(=O)c4cccc(CN5CCNCCN(CC5)Cc6cccc1[n+]26)[n+]34
SMILES	OpenEye OEToolkits	2.0.6	c1cc2[n+]3c(c1)C(=O)O[Tb]34567[n+]8c(cccc8C(=O)O4)C[N+]59CC[NH+]6CC[N+]7(C2)CC9
Canonical SMILES	CACTVS	3.385	O=C1O[Tb]23OC(=O)c4cccc(CN5CCNCCN(CC5)Cc6cccc1[n+]26)[n+]34
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc2[n+]3c(c1)C(=O)O[Tb]34567[n+]8c(cccc8C(=O)O4)C[N+]59CC[NH+]6CC[N+]7(C2)CC9
InChI	InChI	1.03	InChI=1S/C20H25N5O4.Tb/c26-19(27)17-5-1-3-15(22-17)13-24-9-7-21-8-10-25(12-11-24)14-16-4-2-6-18(23-16)20(28)29;/h1-6,21H,7-14H2,(H,26,27)(H,28,29);/q;+7/p-2
InChIKey	InChI	1.03	JWLMJALAUZUFRC-UHFFFAOYSA-L

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.