A1IQS

7-[(3~{S},4~{S},6~{R})-1-[(2~{S})-2-azanyl-3-(1~{H}-indol-3-yl)propanoyl]-4-methyl-4,6-bis(oxidanyl)azepan-3-yl]-1,3-dimethyl-purine-2,6-dione


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Chemical Component Summary

Name7-[(3~{S},4~{S},6~{R})-1-[(2~{S})-2-azanyl-3-(1~{H}-indol-3-yl)propanoyl]-4-methyl-4,6-bis(oxidanyl)azepan-3-yl]-1,3-dimethyl-purine-2,6-dione
Identifiers7-[(3~{S},4~{S},6~{R})-1-[(2~{S})-2-azanyl-3-(1~{H}-indol-3-yl)propanoyl]-4-methyl-4,6-bis(oxidanyl)azepan-3-yl]-1,3-dimethyl-purine-2,6-dione
FormulaC25 H31 N7 O5
Molecular Weight509.558
TypeNON-POLYMER
Isomeric SMILESC[C@@]1(C[C@H](CN(C[C@@H]1n2cnc3c2C(=O)N(C(=O)N3C)C)C(=O)[C@H](Cc4c[nH]c5c4cccc5)N)O)O
InChIInChI=1S/C25H31N7O5/c1-25(37)9-15(33)11-31(22(34)17(26)8-14-10-27-18-7-5-4-6-16(14)18)12-19(25)32-13-28-21-20(32)23(35)30(3)24(36)29(21)2/h4-7,10,13,15,17,19,27,33,37H,8-9,11-12,26H2,1-3H3/t15?,17?,19?,25-/m0/s1
InChIKeyDDNGVXBWJTUXAH-YNQYGCNBSA-N

Chemical Details

Formal Charge0
Atom Count68
Chiral Atom Count4
Bond Count72
Aromatic Bond Count15

Related Resource References

Resource NameReference
PubChem 129587139