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

YOT

Summary
Name:(3S)-3-{5-[(1,2-benzoxazol-3-yl)amino]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}piperidine-2,6-dione
Formula:C20 H16 N4 O4
Formal charge:0
Formula weight:376.365 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(3S)-3-{5-[(1,2-benzoxazol-3-yl)amino]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}piperidine-2,6-dione
OpenEye OEToolkits2.0.7(3~{S})-3-[6-(1,2-benzoxazol-3-ylamino)-3-oxidanylidene-1~{H}-isoindol-2-yl]piperidine-2,6-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1NC(=O)CCC1N1Cc2cc(ccc2C1=O)Nc1noc2ccccc21
InChIInChI1.06InChI=1S/C20H16N4O4/c25-17-8-7-15(19(26)22-17)24-10-11-9-12(5-6-13(11)20(24)27)21-18-14-3-1-2-4-16(14)28-23-18/h1-6,9,15H,7-8,10H2,(H,21,23)(H,22,25,26)/t15-/m0/s1
InChIKeyInChI1.06AJUZTJBGJWQZFW-HNNXBMFYSA-N
SMILES_CANONICALCACTVS3.385O=C1CC[C@H](N2Cc3cc(Nc4noc5ccccc45)ccc3C2=O)C(=O)N1
SMILESCACTVS3.385O=C1CC[CH](N2Cc3cc(Nc4noc5ccccc45)ccc3C2=O)C(=O)N1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc2c(c1)c(no2)Nc3ccc4c(c3)CN(C4=O)[C@H]5CCC(=O)NC5=O
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)c(no2)Nc3ccc4c(c3)CN(C4=O)C5CCC(=O)NC5=O

222415

건을2024-07-10부터공개중

PDB statisticsPDBj update infoContact PDBjnumon