Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

GW4

Summary
Name:N-[(2S)-2-[(2-BENZOYLPHENYL)AMINO]-3-{4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL]ACETAMIDE
Formula:C36 H35 N3 O4
Formal charge:0
Formula weight:573.681 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-[(2S)-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl}-2-{[2-(phenylcarbonyl)phenyl]amino}propyl]acetamide
OpenEye OEToolkits1.5.0N-[(2S)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propyl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(c1ccccc1)c2ccccc2NC(CNC(=O)C)Cc5ccc(OCCc3nc(oc3C)c4ccccc4)cc5
SMILES_CANONICALCACTVS3.341CC(=O)NC[C@H](Cc1ccc(OCCc2nc(oc2C)c3ccccc3)cc1)Nc4ccccc4C(=O)c5ccccc5
SMILESCACTVS3.341CC(=O)NC[CH](Cc1ccc(OCCc2nc(oc2C)c3ccccc3)cc1)Nc4ccccc4C(=O)c5ccccc5
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)C[C@@H](CNC(=O)C)Nc4ccccc4C(=O)c5ccccc5
SMILESOpenEye OEToolkits1.5.0Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)CC(CNC(=O)C)Nc4ccccc4C(=O)c5ccccc5
InChIInChI1.03InChI=1S/C36H35N3O4/c1-25-33(39-36(43-25)29-13-7-4-8-14-29)21-22-42-31-19-17-27(18-20-31)23-30(24-37-26(2)40)38-34-16-10-9-15-32(34)35(41)28-11-5-3-6-12-28/h3-20,30,38H,21-24H2,1-2H3,(H,37,40)/t30-/m0/s1
InChIKeyInChI1.03WCJXONGEWJNZQV-PMERELPUSA-N

222926

건을2024-07-24부터공개중

PDB statisticsPDBj update infoContact PDBjnumon