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Summary Geometry Related PDB entries

GH8

Summary

Name:	4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-(phenylmethyl)benzamide
Formula:	C30 H32 N2 O3
Formal charge:	0
Formula weight:	468.587 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.6	4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-(phenylmethyl)benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C30H32N2O3/c1-21(2)32-16-14-30(15-17-32)19-27(33)26-18-25(12-13-28(26)35-30)23-8-10-24(11-9-23)29(34)31-20-22-6-4-3-5-7-22/h3-13,18,21H,14-17,19-20H2,1-2H3,(H,31,34)
InChIKey	InChI	1.03	ZNZGCTIEADJNIM-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)N1CCC2(CC1)CC(=O)c3cc(ccc3O2)c4ccc(cc4)C(=O)NCc5ccccc5
SMILES	CACTVS	3.385	CC(C)N1CCC2(CC1)CC(=O)c3cc(ccc3O2)c4ccc(cc4)C(=O)NCc5ccccc5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	CC(C)N1CCC2(CC1)CC(=O)c3cc(ccc3O2)c4ccc(cc4)C(=O)NCc5ccccc5
SMILES	OpenEye OEToolkits	2.0.6	CC(C)N1CCC2(CC1)CC(=O)c3cc(ccc3O2)c4ccc(cc4)C(=O)NCc5ccccc5

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