XK2

[4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-HEXAHYDRO-5,6-DIHYDROXY-1,3-BIS[2-NAPHTHYL-METHYL]-4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPIN-2-ONE


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Chemical Component Summary

Name[4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-HEXAHYDRO-5,6-DIHYDROXY-1,3-BIS[2-NAPHTHYL-METHYL]-4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPIN-2-ONE
Identifiers(4R,5S,6S,7R)-5,6-dihydroxy-1,3-bis(naphthalen-2-ylmethyl)-4,7-bis(phenylmethyl)-1,3-diazepan-2-one
FormulaC41 H38 N2 O3
Molecular Weight606.752
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3ccc4ccccc4c3)Cc5ccc6ccccc6c5)Cc7ccccc7)O)O
InChIInChI=1S/C41H38N2O3/c44-39-37(25-29-11-3-1-4-12-29)42(27-31-19-21-33-15-7-9-17-35(33)23-31)41(46)43(38(40(39)45)26-30-13-5-2-6-14-30)28-32-20-22-34-16-8-10-18-36(34)24-32/h1-24,37-40,44-45H,25-28H2/t37-,38-,39+,40+/m1/s1
InChIKeyVUYPJDFAKYXJEV-WESAGZJESA-N

Chemical Details

Formal Charge0
Atom Count84
Chiral Atom Count4
Bond Count90
Aromatic Bond Count34

Related Resource References

Resource NameReference
PubChem 446153
ChEMBL CHEMBL33647