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Summary Geometry Related PDB entries

9GY

Summary

Name:	3-[(2S)-1-acetyl-4-(furan-2-carbonyl)-2-methyl-1,2,3,4-tetrahydroquinoxalin-6-yl]-N-methylbenzamide
Formula:	C24 H23 N3 O4
Formal charge:	0
Formula weight:	417.457 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	3-[(2S)-1-acetyl-4-(furan-2-carbonyl)-2-methyl-1,2,3,4-tetrahydroquinoxalin-6-yl]-N-methylbenzamide
OpenEye OEToolkits	2.0.6	3-[(2~{S})-1-ethanoyl-4-(furan-2-ylcarbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]-~{N}-methyl-benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CNC(=O)c1cccc(c1)c3cc2N(CC(N(c2cc3)C(=O)C)C)C(=O)c4ccco4
InChI	InChI	1.03	InChI=1S/C24H23N3O4/c1-15-14-26(24(30)22-8-5-11-31-22)21-13-18(9-10-20(21)27(15)16(2)28)17-6-4-7-19(12-17)23(29)25-3/h4-13,15H,14H2,1-3H3,(H,25,29)/t15-/m0/s1
InChIKey	InChI	1.03	BNLUHUAAWOCZIZ-HNNXBMFYSA-N
SMILES_CANONICAL	CACTVS	3.385	CNC(=O)c1cccc(c1)c2ccc3N([C@@H](C)CN(C(=O)c4occc4)c3c2)C(C)=O
SMILES	CACTVS	3.385	CNC(=O)c1cccc(c1)c2ccc3N([CH](C)CN(C(=O)c4occc4)c3c2)C(C)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	C[C@H]1CN(c2cc(ccc2N1C(=O)C)c3cccc(c3)C(=O)NC)C(=O)c4ccco4
SMILES	OpenEye OEToolkits	2.0.6	CC1CN(c2cc(ccc2N1C(=O)C)c3cccc(c3)C(=O)NC)C(=O)c4ccco4

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