0U4

N-[(2S,3R)-4-{[2-(1-benzylpiperidin-4-yl)ethyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide


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Chemical Component Summary

NameN-[(2S,3R)-4-{[2-(1-benzylpiperidin-4-yl)ethyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
Identifiers5-[methyl(methylsulfonyl)amino]-N3-[(2S,3R)-3-oxidanyl-1-phenyl-4-[2-[1-(phenylmethyl)piperidin-4-yl]ethylamino]butan-2-yl]-N1-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
FormulaC42 H53 N5 O5 S
Molecular Weight739.966
TypeNON-POLYMER
Isomeric SMILESC[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCCC4CCN(CC4)Cc5ccccc5)O
InChIInChI=1S/C42H53N5O5S/c1-31(35-17-11-6-12-18-35)44-41(49)36-26-37(28-38(27-36)46(2)53(3,51)52)42(50)45-39(25-33-13-7-4-8-14-33)40(48)29-43-22-19-32-20-23-47(24-21-32)30-34-15-9-5-10-16-34/h4-18,26-28,31-32,39-40,43,48H,19-25,29-30H2,1-3H3,(H,44,49)(H,45,50)/t31-,39+,40-/m1/s1
InChIKeyIMNAYTZSJCRZIO-RLRCJDGOSA-N

Chemical Details

Formal Charge0
Atom Count106
Chiral Atom Count3
Bond Count110
Aromatic Bond Count24

Related Resource References

Resource NameReference
Pharos CHEMBL510269
PubChem 44123817
ChEMBL CHEMBL510269