ZTL

(1R,2s,3S,5s,7s)-N-[(1r,4r)-4-(aminomethyl)cyclohexyl]-5-phenyladamantane-2-carboxamide

Created:	2023-07-04
Last modified:	2023-08-09

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1 entries where ZTL is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	61
Chiral Atom Count	2
Bond Count	65
Aromatic Bond Count	6

2D diagram of ZTL

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Chemical Component Summary
Name	(1R,2s,3S,5s,7s)-N-[(1r,4r)-4-(aminomethyl)cyclohexyl]-5-phenyladamantane-2-carboxamide
Systematic Name (OpenEye OEToolkits)	(1~{S},3~{R})-~{N}-[4-(aminomethyl)cyclohexyl]-5-phenyl-adamantane-2-carboxamide
Formula	C₂₄ H₃₄ N₂ O
Molecular Weight	366.54
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NC1CCC(CC1)CN)C1C2CC3CC1CC(C3)(C2)c1ccccc1
SMILES	CACTVS	3.385	NC[CH]1CC[CH](CC1)NC(=O)[CH]2[CH]3CC4C[CH]2CC(C4)(C3)c5ccccc5
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)C23CC4CC(C2)C(C(C4)C3)C(=O)NC5CCC(CC5)CN
Canonical SMILES	CACTVS	3.385	NC[C@H]1CC[C@@H](CC1)NC(=O)[C@@H]2[C@@H]3CC4C[C@H]2CC(C4)(C3)c5ccccc5
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)C23C[C@H]4CC(C2)C[C@@H](C3)C4C(=O)NC5CCC(CC5)CN
InChI	InChI	1.06	InChI=1S/C24H34N2O/c25-15-16-6-8-21(9-7-16)26-23(27)22-18-10-17-11-19(22)14-24(12-17,13-18)20-4-2-1-3-5-20/h1-5,16-19,21-22H,6-15,25H2,(H,26,27)/t16-,17-,18-,19+,21-,22-,24-
InChIKey	InChI	1.06	IRIFICPLNIURJD-IXFKACPXSA-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.