0ZD

N,N'-bis(2-[(biphenyl-4ylsulfonyl)[(2R)-1-hydroxy-3-methyl-1-oxobutan-2-yl]-amino]ethyl)benzene-1,3-dicarboxamide



Chemical Component Summary

NameN,N'-bis(2-[(biphenyl-4ylsulfonyl)[(2R)-1-hydroxy-3-methyl-1-oxobutan-2-yl]-amino]ethyl)benzene-1,3-dicarboxamide
Identifiers(2R)-3-methyl-2-[2-[[3-[2-[[(2R)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]-(4-phenylphenyl)sulfonyl-amino]ethylcarbamoyl]phenyl]carbonylamino]ethyl-(4-phenylphenyl)sulfonyl-amino]butanoic acid
FormulaC46 H50 N4 O10 S2
Molecular Weight883.04
TypeNON-POLYMER
Isomeric SMILESCC(C)[C@H](C(=O)O)N(CCNC(=O)c1cccc(c1)C(=O)NCCN([C@H](C(C)C)C(=O)O)S(=O)(=O)c2ccc(cc2)c3ccccc3)S(=O)(=O)c4ccc(cc4)c5ccccc5
InChIInChI=1S/C46H50N4O10S2/c1-31(2)41(45(53)54)49(61(57,58)39-22-18-35(19-23-39)33-12-7-5-8-13-33)28-26-47-43(51)37-16-11-17-38(30-37)44(52)48-27-29-50(42(32(3)4)46(55)56)62(59,60)40-24-20-36(21-25-40)34-14-9-6-10-15-34/h5-25,30-32,41-42H,26-29H2,1-4H3,(H,47,51)(H,48,52)(H,53,54)(H,55,56)/t41-,42-/m1/s1
InChIKeyJEFGHXXQQOIPKU-NCRNUEESSA-N

Chemical Details

Formal Charge0
Atom Count112
Chiral Atom Count2
Bond Count116
Aromatic Bond Count30

Related Resource References

Resource NameReference
Pharos CHEMBL3960452
PubChem 71304794
ChEMBL CHEMBL3960452