VAC

N,N-BIS(2-HYDROXY-1-INDANYL)-2,6- DIPHENYLMETHYL-4-HYDROXY-1,7-HEPTANDIAMIDE


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Chemical Component Summary

NameN,N-BIS(2-HYDROXY-1-INDANYL)-2,6- DIPHENYLMETHYL-4-HYDROXY-1,7-HEPTANDIAMIDE
Identifiers(2R,6R)-4-hydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,6-bis(phenylmethyl)heptanediamide
FormulaC39 H42 N2 O5
Molecular Weight618.761
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)C[C@H](CC(C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O
InChIInChI=1S/C39H42N2O5/c42-31(21-29(19-25-11-3-1-4-12-25)38(45)40-36-32-17-9-7-15-27(32)23-34(36)43)22-30(20-26-13-5-2-6-14-26)39(46)41-37-33-18-10-8-16-28(33)24-35(37)44/h1-18,29-31,34-37,42-44H,19-24H2,(H,40,45)(H,41,46)/t29-,30-,34-,35-,36+,37+/m1/s1
InChIKeyNNOFYWJFSHHUJW-NDYAMACHSA-N

Chemical Details

Formal Charge0
Atom Count88
Chiral Atom Count6
Bond Count93
Aromatic Bond Count24

Related Resource References

Resource NameReference
PubChem 5482936
ChEMBL CHEMBL109952