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Summary Geometry Related PDB entries

Y18

Summary

Name:	5-{[(3R)-1-methyl-5-oxopyrrolidin-3-yl]methyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one
Formula:	C17 H19 N3 O2
Formal charge:	0
Formula weight:	297.352 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	5-{[(3R)-1-methyl-5-oxopyrrolidin-3-yl]methyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one
OpenEye OEToolkits	2.0.7	5-[[(3~{R})-1-methyl-5-oxidanylidene-pyrrolidin-3-yl]methyl]-3,4-dihydro-2~{H}-pyrido[4,3-b]indol-1-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C1(=O)c3c(CCN1)n(CC2CC(N(C2)C)=O)c4c3cccc4
InChI	InChI	1.03	InChI=1S/C17H19N3O2/c1-19-9-11(8-15(19)21)10-20-13-5-3-2-4-12(13)16-14(20)6-7-18-17(16)22/h2-5,11H,6-10H2,1H3,(H,18,22)/t11-/m0/s1
InChIKey	InChI	1.03	UERBETVZEWZRSL-NSHDSACASA-N
SMILES_CANONICAL	CACTVS	3.385	CN1C[C@@H](Cn2c3CCNC(=O)c3c4ccccc24)CC1=O
SMILES	CACTVS	3.385	CN1C[CH](Cn2c3CCNC(=O)c3c4ccccc24)CC1=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CN1C[C@H](CC1=O)Cn2c3ccccc3c4c2CCNC4=O
SMILES	OpenEye OEToolkits	2.0.7	CN1CC(CC1=O)Cn2c3ccccc3c4c2CCNC4=O

218853

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