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Summary Geometry Related PDB entries

A1A2A

Summary

Name:	1-(4-chlorophenyl)-N-{[(2R)-4-(2,3-dihydro-1H-inden-2-yl)-5-oxomorpholin-2-yl]methyl}cyclopropane-1-carboxamide
Formula:	C24 H25 Cl N2 O3
Formal charge:	0
Formula weight:	424.92 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	1-(4-chlorophenyl)-N-{[(2R)-4-(2,3-dihydro-1H-inden-2-yl)-5-oxomorpholin-2-yl]methyl}cyclopropane-1-carboxamide
OpenEye OEToolkits	2.0.7	1-(4-chlorophenyl)-~{N}-[[(2~{R})-4-(2,3-dihydro-1~{H}-inden-2-yl)-5-oxidanylidene-morpholin-2-yl]methyl]cyclopropane-1-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1COC(CN1C1Cc2ccccc2C1)CNC(=O)C1(CC1)c1ccc(Cl)cc1
InChI	InChI	1.06	InChI=1S/C24H25ClN2O3/c25-19-7-5-18(6-8-19)24(9-10-24)23(29)26-13-21-14-27(22(28)15-30-21)20-11-16-3-1-2-4-17(16)12-20/h1-8,20-21H,9-15H2,(H,26,29)/t21-/m1/s1
InChIKey	InChI	1.06	ZDCUVQHVRIOGTN-OAQYLSRUSA-N
SMILES_CANONICAL	CACTVS	3.385	Clc1ccc(cc1)C2(CC2)C(=O)NC[C@@H]3CN(C4Cc5ccccc5C4)C(=O)CO3
SMILES	CACTVS	3.385	Clc1ccc(cc1)C2(CC2)C(=O)NC[CH]3CN(C4Cc5ccccc5C4)C(=O)CO3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)CC(C2)N3C[C@H](OCC3=O)CNC(=O)C4(CC4)c5ccc(cc5)Cl
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)CC(C2)N3CC(OCC3=O)CNC(=O)C4(CC4)c5ccc(cc5)Cl

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