Chemical Component Summary

NameN-[2-(2-{4-[(R)-(2-methyl-2H-tetrazol-5-yl)(phenyl)methyl]piperazine-1-carbonyl}pyridin-4-yl)-1,3-benzoxazol-5-yl]acetamide
Identifiers~{N}-[2-[2-[4-[(~{R})-(2-methyl-1,2,3,4-tetrazol-5-yl)-phenyl-methyl]piperazin-1-yl]carbonylpyridin-4-yl]-1,3-benzoxazol-5-yl]ethanamide
FormulaC28 H27 N9 O3
Molecular Weight537.572
TypeNON-POLYMER
Isomeric SMILESCC(=O)Nc1ccc2c(c1)nc(o2)c3ccnc(c3)C(=O)N4CCN(CC4)[C@H](c5ccccc5)c6nnn(n6)C
InChIInChI=1S/C28H27N9O3/c1-18(38)30-21-8-9-24-22(17-21)31-27(40-24)20-10-11-29-23(16-20)28(39)37-14-12-36(13-15-37)25(19-6-4-3-5-7-19)26-32-34-35(2)33-26/h3-11,16-17,25H,12-15H2,1-2H3,(H,30,38)/t25-/m1/s1
InChIKeyVMAAUIZLAZYALS-RUZDIDTESA-N

Chemical Details

Formal Charge0
Atom Count67
Chiral Atom Count1
Bond Count72
Aromatic Bond Count27

Related Resource References

Resource NameReference
PubChem 135302421