E7H

4-[[(5~{S},7~{R})-3-azanyl-1-adamantyl]carbonylamino]-1~{H}-indole-2-carboxamide

Created:	2018-02-26
Last modified:	2018-06-06

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1 entries where E7H is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	50
Chiral Atom Count	2
Bond Count	54
Aromatic Bond Count	10

2D diagram of E7H

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Chemical Component Summary
Name	4-[[(5~{S},7~{R})-3-azanyl-1-adamantyl]carbonylamino]-1~{H}-indole-2-carboxamide
Systematic Name (OpenEye OEToolkits)	4-[[(5~{S},7~{R})-3-azanyl-1-adamantyl]carbonylamino]-1~{H}-indole-2-carboxamide
Formula	C₂₀ H₂₄ N₄ O₂
Molecular Weight	352.43
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NC(=O)c1[nH]c2cccc(NC(=O)C34C[CH]5C[CH](CC(N)(C5)C3)C4)c2c1
SMILES	OpenEye OEToolkits	2.0.6	c1cc2c(cc([nH]2)C(=O)N)c(c1)NC(=O)C34CC5CC(C3)CC(C5)(C4)N
Canonical SMILES	CACTVS	3.385	NC(=O)c1[nH]c2cccc(NC(=O)C34C[C@@H]5C[C@@H](CC(N)(C5)C3)C4)c2c1
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc2c(cc([nH]2)C(=O)N)c(c1)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)N
InChI	InChI	1.03	InChI=1S/C20H24N4O2/c21-17(25)16-5-13-14(23-16)2-1-3-15(13)24-18(26)19-6-11-4-12(7-19)9-20(22,8-11)10-19/h1-3,5,11-12,23H,4,6-10,22H2,(H2,21,25)(H,24,26)/t11-,12+,19+,20-
InChIKey	InChI	1.03	WGKDLQGKGXBCBV-SRRICDNISA-N

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.