YEV

(2R)-2-(5-hydroxy-2-methyl-1H-indol-3-yl)-N-{(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]pentyl}propanamide

Created:2021-02-23
Last modified:  2021-05-05

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Chemical Details

Formal Charge0
Atom Count71
Chiral Atom Count2
Bond Count75
Aromatic Bond Count26
2D diagram of YEV
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Chemical Component Summary

Name(2R)-2-(5-hydroxy-2-methyl-1H-indol-3-yl)-N-{(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]pentyl}propanamide
Systematic Name (OpenEye OEToolkits)(2~{R})-~{N}-[(1~{S})-1-[5-(2-methoxyquinolin-3-yl)-1~{H}-imidazol-2-yl]pentyl]-2-(2-methyl-5-oxidanyl-1~{H}-indol-3-yl)propanamide
FormulaC30 H33 N5 O3
Molecular Weight511.615
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(NC(=O)C(C)c1c(nc2c1cc(O)cc2)C)(CCCC)c3nc(cn3)c4c(nc5c(c4)cccc5)OC
SMILESCACTVS3.385CCCC[CH](NC(=O)[CH](C)c1c(C)[nH]c2ccc(O)cc12)c3[nH]c(cn3)c4cc5ccccc5nc4OC
SMILESOpenEye OEToolkits2.0.7CCCCC(c1[nH]c(cn1)c2cc3ccccc3nc2OC)NC(=O)C(C)c4c([nH]c5c4cc(cc5)O)C
Canonical SMILESCACTVS3.385 CCCC[C@H](NC(=O)[C@H](C)c1c(C)[nH]c2ccc(O)cc12)c3[nH]c(cn3)c4cc5ccccc5nc4OC
Canonical SMILESOpenEye OEToolkits2.0.7 CCCC[C@@H](c1[nH]c(cn1)c2cc3ccccc3nc2OC)NC(=O)[C@H](C)c4c([nH]c5c4cc(cc5)O)C
InChIInChI1.03 InChI=1S/C30H33N5O3/c1-5-6-10-25(34-29(37)17(2)27-18(3)32-24-13-12-20(36)15-21(24)27)28-31-16-26(33-28)22-14-19-9-7-8-11-23(19)35-30(22)38-4/h7-9,11-17,25,32,36H,5-6,10H2,1-4H3,(H,31,33)(H,34,37)/t17-,25+/m1/s1
InChIKeyInChI1.03 CZYALTGXIQQGCT-NSYGIPOTSA-N

Related Resource References

Resource NameReference
PubChem 155907156