V9K

2N-methyl-4N-(4-oxidanylcyclohexyl)-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide

Created:	2021-05-01
Last modified:	2021-07-28

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1 entries where V9K is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	53
Chiral Atom Count	1
Bond Count	55
Aromatic Bond Count	11

2D diagram of V9K

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Chemical Component Summary
Name	2N-methyl-4N-(4-oxidanylcyclohexyl)-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
Synonyms	N4-hydroxycyclohexyl-N2-methyl-5-phenylethyl-furan-2,4-dicarboxamide
Systematic Name (OpenEye OEToolkits)	~{N}2-methyl-~{N}4-(4-oxidanylcyclohexyl)-5-[(1~{S})-1-phenylethyl]furan-2,4-dicarboxamide
Formula	C₂₁ H₂₆ N₂ O₄
Molecular Weight	370.442
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CNC(=O)c1oc([CH](C)c2ccccc2)c(c1)C(=O)N[CH]3CC[CH](O)CC3
SMILES	OpenEye OEToolkits	2.0.7	CC(c1ccccc1)c2c(cc(o2)C(=O)NC)C(=O)NC3CCC(CC3)O
Canonical SMILES	CACTVS	3.385	CNC(=O)c1oc([C@@H](C)c2ccccc2)c(c1)C(=O)N[C@H]3CC[C@H](O)CC3
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@@H](c1ccccc1)c2c(cc(o2)C(=O)NC)C(=O)NC3CCC(CC3)O
InChI	InChI	1.03	InChI=1S/C21H26N2O4/c1-13(14-6-4-3-5-7-14)19-17(12-18(27-19)21(26)22-2)20(25)23-15-8-10-16(24)11-9-15/h3-7,12-13,15-16,24H,8-11H2,1-2H3,(H,22,26)(H,23,25)/t13-,15-,16-/m0/s1
InChIKey	InChI	1.03	BRAMSTZRKUJRKS-BPUTZDHNSA-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.