U60

(2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxy-ethanoic acid

Created:	2023-01-26
Last modified:	2023-06-07

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1 entries where U60 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	57
Chiral Atom Count	1
Bond Count	61
Aromatic Bond Count	12

2D diagram of U60

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Chemical Component Summary
Name	(2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxy-ethanoic acid
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)phenyl]-2-cyclopropyloxy-ethanoic acid
Formula	C₂₅ H₂₈ O₄
Molecular Weight	392.487
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1ccc(C2CC2)c(c3ccc4OCCCc4c3C)c1[CH](OC5CC5)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(c(c1C(C(=O)O)OC2CC2)c3ccc4c(c3C)CCCO4)C5CC5
Canonical SMILES	CACTVS	3.385	Cc1ccc(C2CC2)c(c3ccc4OCCCc4c3C)c1[C@H](OC5CC5)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(c(c1[C@@H](C(=O)O)OC2CC2)c3ccc4c(c3C)CCCO4)C5CC5
InChI	InChI	1.06	InChI=1S/C25H28O4/c1-14-5-10-20(16-6-7-16)23(22(14)24(25(26)27)29-17-8-9-17)19-11-12-21-18(15(19)2)4-3-13-28-21/h5,10-12,16-17,24H,3-4,6-9,13H2,1-2H3,(H,26,27)/t24-/m0/s1
InChIKey	InChI	1.06	ZNMXSKRQRZHGAE-DEOSSOPVSA-N

Related Resource References

Resource Name	Reference
PubChem	117780189

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.