3ZJ

N-({(3S,4S)-4-[(benzylsulfonyl)amino]pyrrolidin-3-yl}methyl)-4-methoxy-3-(3-methoxypropoxy)-N-(propan-2-yl)benzamide


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Chemical Component Summary

NameN-({(3S,4S)-4-[(benzylsulfonyl)amino]pyrrolidin-3-yl}methyl)-4-methoxy-3-(3-methoxypropoxy)-N-(propan-2-yl)benzamide
Identifiers4-methoxy-3-(3-methoxypropoxy)-N-[[(3S,4S)-4-[(phenylmethyl)sulfonylamino]pyrrolidin-3-yl]methyl]-N-propan-2-yl-benzamide
FormulaC27 H39 N3 O6 S
Molecular Weight533.68
TypeNON-POLYMER
Isomeric SMILESCC(C)N(C[C@@H]1CNC[C@H]1NS(=O)(=O)Cc2ccccc2)C(=O)c3ccc(c(c3)OCCCOC)OC
InChIInChI=1S/C27H39N3O6S/c1-20(2)30(27(31)22-11-12-25(35-4)26(15-22)36-14-8-13-34-3)18-23-16-28-17-24(23)29-37(32,33)19-21-9-6-5-7-10-21/h5-7,9-12,15,20,23-24,28-29H,8,13-14,16-19H2,1-4H3/t23-,24+/m0/s1
InChIKeyWPSURGXSNWIBBJ-BJKOFHAPSA-N

Chemical Details

Formal Charge0
Atom Count76
Chiral Atom Count2
Bond Count78
Aromatic Bond Count12

Related Resource References

Resource NameReference
Pharos CHEMBL3401541
PubChem 59272004
ChEMBL CHEMBL3401541