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G0G

Summary
Name:N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(N-BENZYLBENZENESULFONAMIDE)
Formula:C30 H31 N3 O4 S2
Formal charge:0
Formula weight:561.715 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N,N'-(3S,4S)-pyrrolidine-3,4-diylbis(N-benzylbenzenesulfonamide)
OpenEye OEToolkits1.5.0N-(phenylmethyl)-N-[(3S,4S)-4-(phenylmethyl-(phenylsulfonyl)amino)pyrrolidin-3-yl]benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(N(C3C(N(Cc1ccccc1)S(=O)(=O)c2ccccc2)CNC3)Cc4ccccc4)c5ccccc5
SMILES_CANONICALCACTVS3.341O=[S](=O)(N(Cc1ccccc1)[C@H]2CNC[C@@H]2N(Cc3ccccc3)[S](=O)(=O)c4ccccc4)c5ccccc5
SMILESCACTVS3.341O=[S](=O)(N(Cc1ccccc1)[CH]2CNC[CH]2N(Cc3ccccc3)[S](=O)(=O)c4ccccc4)c5ccccc5
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)CN([C@H]2CNC[C@@H]2N(Cc3ccccc3)S(=O)(=O)c4ccccc4)S(=O)(=O)c5ccccc5
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)CN(C2CNCC2N(Cc3ccccc3)S(=O)(=O)c4ccccc4)S(=O)(=O)c5ccccc5
InChIInChI1.03InChI=1S/C30H31N3O4S2/c34-38(35,27-17-9-3-10-18-27)32(23-25-13-5-1-6-14-25)29-21-31-22-30(29)33(24-26-15-7-2-8-16-26)39(36,37)28-19-11-4-12-20-28/h1-20,29-31H,21-24H2/t29-,30-/m0/s1
InChIKeyInChI1.03FEURULQIDNOEMF-KYJUHHDHSA-N

222415

數據於2024-07-10公開中

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