Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
SummaryGeometryRelated PDB entries

8F6

Summary
Name:(3~{R})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{R})-1-phenylethyl]amino]-3~{H}-quinoxalin-2-one
Formula:C21 H25 N3 O
Formal charge:0
Formula weight:335.443 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6(3~{R})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{R})-1-phenylethyl]amino]-3~{H}-quinoxalin-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C21H25N3O/c1-14(16-7-5-4-6-8-16)22-17-9-12-19-20(13-17)24(18-10-11-18)15(2)21(25)23(19)3/h4-9,12-15,18,22H,10-11H2,1-3H3/t14-,15-/m1/s1
InChIKeyInChI1.03YJXOISPYJORRTP-HUUCEWRRSA-N
SMILES_CANONICALCACTVS3.385C[C@@H](Nc1ccc2N(C)C(=O)[C@@H](C)N(C3CC3)c2c1)c4ccccc4
SMILESCACTVS3.385C[CH](Nc1ccc2N(C)C(=O)[CH](C)N(C3CC3)c2c1)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.6C[C@@H]1C(=O)N(c2ccc(cc2N1C3CC3)N[C@H](C)c4ccccc4)C
SMILESOpenEye OEToolkits2.0.6CC1C(=O)N(c2ccc(cc2N1C3CC3)NC(C)c4ccccc4)C

222415

PDB entries from 2024-07-10

PDB statisticsPDBj update infoContact PDBjnumon