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Summary Geometry Related PDB entries

63C

Summary

Name:	(3R,4R)-1-METHYLCARBAMOYLMETHYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}
Formula:	C26 H25 Cl F N5 O4
Formal charge:	0
Formula weight:	525.959 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	(3R,4R)-N-(4-chlorophenyl)-N'-[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]-1-[2-(methylamino)-2-oxoethyl]pyrrolidine-3,4-dicarboxamide
OpenEye OEToolkits	1.6.1	(3R,4R)-N-(4-chlorophenyl)-N'-[2-fluoro-4-(2-oxopyridin-1-yl)phenyl]-1-(2-methylamino-2-oxo-ethyl)pyrrolidine-3,4-dicarboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(NC)CN4CC(C(=O)Nc1ccc(Cl)cc1)C(C(=O)Nc3ccc(N2C=CC=CC2=O)cc3F)C4
SMILES_CANONICAL	CACTVS	3.352	CNC(=O)CN1C[C@@H]([C@H](C1)C(=O)Nc2ccc(cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(Cl)cc4
SMILES	CACTVS	3.352	CNC(=O)CN1C[CH]([CH](C1)C(=O)Nc2ccc(cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(Cl)cc4
SMILES_CANONICAL	OpenEye OEToolkits	1.6.1	CNC(=O)CN1C[C@@H]([C@H](C1)C(=O)Nc2ccc(cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(cc4)Cl
SMILES	OpenEye OEToolkits	1.6.1	CNC(=O)CN1CC(C(C1)C(=O)Nc2ccc(cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(cc4)Cl
InChI	InChI	1.03	InChI=1S/C26H25ClFN5O4/c1-29-23(34)15-32-13-19(25(36)30-17-7-5-16(27)6-8-17)20(14-32)26(37)31-22-10-9-18(12-21(22)28)33-11-3-2-4-24(33)35/h2-12,19-20H,13-15H2,1H3,(H,29,34)(H,30,36)(H,31,37)/t19-,20-/m0/s1
InChIKey	InChI	1.03	DXHIEYAKKGEXDY-PMACEKPBSA-N

218853

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