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Summary Geometry Related PDB entries

A1ITP

Summary

Name:	(1~{R})-~{N}-(3-chlorophenyl)-3-oxidanylidene-~{N}-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1,2-dihydroindene-1-carboxamide
Synonyms:	(1R)-N-(3-chlorophenyl)-3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]indane-1-carboxamide
Formula:	C26 H21 Cl N2 O3
Formal charge:	0
Formula weight:	444.91 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	(1~{R})-~{N}-(3-chlorophenyl)-3-oxidanylidene-~{N}-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1,2-dihydroindene-1-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C26H21ClN2O3/c27-17-5-3-6-20(15-17)29(19-12-10-18(11-13-19)28-14-4-9-25(28)31)26(32)23-16-24(30)22-8-2-1-7-21(22)23/h1-3,5-8,10-13,15,23H,4,9,14,16H2/t23-/m1/s1
InChIKey	InChI	1.06	QHXYLNDXNZHBPZ-HSZRJFAPSA-N
SMILES_CANONICAL	CACTVS	3.385	Clc1cccc(c1)N(C(=O)[C@@H]2CC(=O)c3ccccc23)c4ccc(cc4)N5CCCC5=O
SMILES	CACTVS	3.385	Clc1cccc(c1)N(C(=O)[CH]2CC(=O)c3ccccc23)c4ccc(cc4)N5CCCC5=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)[C@@H](CC2=O)C(=O)N(c3ccc(cc3)N4CCCC4=O)c5cccc(c5)Cl
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)C(CC2=O)C(=O)N(c3ccc(cc3)N4CCCC4=O)c5cccc(c5)Cl

248335

PDB entries from 2026-01-28

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