J9L

(5S)-2-(methylamino)-5-[(1R)-1-(4-methyl-1H-indol-3-yl)ethyl]-1,3-oxazol-4-one

Created:	2021-04-28
Last modified:	2022-02-16

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1 entries where J9L is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	2
Bond Count	39
Aromatic Bond Count	10

2D diagram of J9L

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Chemical Component Summary
Name	(5S)-2-(methylamino)-5-[(1R)-1-(4-methyl-1H-indol-3-yl)ethyl]-1,3-oxazol-4-one
Systematic Name (OpenEye OEToolkits)	(5~{S})-2-(methylamino)-5-[(1~{R})-1-(4-methyl-1~{H}-indol-3-yl)ethyl]-1,3-oxazol-4-one
Formula	C₁₅ H₁₇ N₃ O₂
Molecular Weight	271.314
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CNC1=NC(=O)[CH](O1)[CH](C)c2c[nH]c3cccc(C)c23
SMILES	OpenEye OEToolkits	2.0.7	Cc1cccc2c1c(c[nH]2)C(C)C3C(=O)N=C(O3)NC
Canonical SMILES	CACTVS	3.385	CNC1=NC(=O)[C@@H](O1)[C@H](C)c2c[nH]c3cccc(C)c23
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1cccc2c1c(c[nH]2)[C@@H](C)[C@H]3C(=O)N=C(O3)NC
InChI	InChI	1.03	InChI=1S/C15H17N3O2/c1-8-5-4-6-11-12(8)10(7-17-11)9(2)13-14(19)18-15(16-3)20-13/h4-7,9,13,17H,1-3H3,(H,16,18,19)/t9-,13+/m1/s1
InChIKey	InChI	1.03	SAVVFPXZFDVWPD-RNCFNFMXSA-N

Related Resource References

Resource Name	Reference
PubChem	162639264

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.