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Summary Geometry Related PDB entries

A1JSZ

Summary

Name:	(4bS,9bS)-4b,9b-bis(oxidanyl)-5-propan-2-yl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
Formula:	C18 H19 N O4
Formal charge:	0
Formula weight:	313.348 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	(4~{b}~{S},9~{b}~{S})-4~{b},9~{b}-bis(oxidanyl)-5-propan-2-yl-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C18H19NO4/c1-10(2)19-13-8-5-9-14(20)15(13)17(22)16(21)11-6-3-4-7-12(11)18(17,19)23/h3-4,6-7,10,22-23H,5,8-9H2,1-2H3/t17-,18+/m1/s1
InChIKey	InChI	1.06	UTXRKYSFZLFWLQ-MSOLQXFVSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)N1C2=C(C(=O)CCC2)[C@@]3(O)C(=O)c4ccccc4[C@@]13O
SMILES	CACTVS	3.385	CC(C)N1C2=C(C(=O)CCC2)[C]3(O)C(=O)c4ccccc4[C]13O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(C)N1C2=C(C(=O)CCC2)[C@@]3([C@]1(c4ccccc4C3=O)O)O
SMILES	OpenEye OEToolkits	2.0.7	CC(C)N1C2=C(C(=O)CCC2)C3(C1(c4ccccc4C3=O)O)O

259351

PDB entries from 2026-09-09

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