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Summary Geometry Related PDB entries

5P4

Summary

Name:	propan-2-yl ~{N}-[(2~{S},4~{R})-1-ethanoyl-6-(furan-2-yl)-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate
Formula:	C20 H24 N2 O4
Formal charge:	0
Formula weight:	356.416 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.4	propan-2-yl ~{N}-[(2~{S},4~{R})-1-ethanoyl-6-(furan-2-yl)-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C20H24N2O4/c1-12(2)26-20(24)21-17-10-13(3)22(14(4)23)18-8-7-15(11-16(17)18)19-6-5-9-25-19/h5-9,11-13,17H,10H2,1-4H3,(H,21,24)/t13-,17+/m0/s1
InChIKey	InChI	1.03	OZBRAEGGHPSXJE-SUMWQHHRSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)c3occc3
SMILES	CACTVS	3.385	CC(C)OC(=O)N[CH]1C[CH](C)N(C(C)=O)c2ccc(cc12)c3occc3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.4	C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccco3)NC(=O)OC(C)C
SMILES	OpenEye OEToolkits	2.0.4	CC1CC(c2cc(ccc2N1C(=O)C)c3ccco3)NC(=O)OC(C)C

221051

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