YPM

(1s,3R,5S,7s)-N-[(1r,4r)-4-aminocyclohexyl]-3,5-diphenyladamantane-1-carboxamide

Created:	2021-03-19
Last modified:	2021-11-24

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1 entries where YPM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	68
Chiral Atom Count	2
Bond Count	73
Aromatic Bond Count	12

2D diagram of YPM

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Chemical Component Summary
Name	(1s,3R,5S,7s)-N-[(1r,4r)-4-aminocyclohexyl]-3,5-diphenyladamantane-1-carboxamide
Systematic Name (OpenEye OEToolkits)	(3~{S},5~{R})-~{N}-(4-azanylcyclohexyl)-3,5-diphenyl-adamantane-1-carboxamide
Formula	C₂₉ H₃₆ N₂ O
Molecular Weight	428.609
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NC1CCC(N)CC1)C12CC3CC(CC(C3)(C1)c1ccccc1)(C2)c1ccccc1
SMILES	CACTVS	3.385	N[CH]1CC[CH](CC1)NC(=O)C23CC4C[C](C2)(C[C](C4)(C3)c5ccccc5)c6ccccc6
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)C23CC4CC(C2)(CC(C4)(C3)C(=O)NC5CCC(CC5)N)c6ccccc6
Canonical SMILES	CACTVS	3.385	N[C@H]1CC[C@@H](CC1)NC(=O)C23CC4C[C@](C2)(C[C@@](C4)(C3)c5ccccc5)c6ccccc6
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)[C@]23CC4C[C@](C2)(CC(C4)(C3)C(=O)NC5CCC(CC5)N)c6ccccc6
InChI	InChI	1.03	InChI=1S/C29H36N2O/c30-24-11-13-25(14-12-24)31-26(32)29-17-21-15-27(19-29,22-7-3-1-4-8-22)18-28(16-21,20-29)23-9-5-2-6-10-23/h1-10,21,24-25H,11-20,30H2,(H,31,32)/t21-,24-,25-,27-,28+,29-
InChIKey	InChI	1.03	NVUHXOGQIOZZGY-AVGVDBRCSA-N

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