5Y1

(5R)-5-hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.1~2,6~.1~11,15~]octacosa-1(26),2,6(28),11(27),12,14,22,24-octaene-4,7-dione

Created: 2021-07-27
Last modified:  2022-07-27

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Chemical Details

Formal Charge0
Atom Count54
Chiral Atom Count1
Bond Count57
Aromatic Bond Count12
2D diagram of 5Y1
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Chemical Component Summary

Name(5R)-5-hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.1~2,6~.1~11,15~]octacosa-1(26),2,6(28),11(27),12,14,22,24-octaene-4,7-dione
Systematic Name (OpenEye OEToolkits)n/a
FormulaC23 H23 N3 O5
Molecular Weight421.446
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=C1NCCc2cc(ccc2)OCCCCOc2cccc(c2)C=2N=C1C(O)C(=O)N=2
SMILESCACTVS3.385O[CH]1C(=O)N=C2N=C1C(=O)NCCc3cccc(OCCCCOc4cccc2c4)c3
SMILESOpenEye OEToolkits2.0.7c1cc2cc(c1)OCCCCOc3cccc(c3)C4=NC(=O)C(C(=N4)C(=O)NCC2)O
Canonical SMILESCACTVS3.385 O[C@H]1C(=O)N=C2N=C1C(=O)NCCc3cccc(OCCCCOc4cccc2c4)c3
Canonical SMILESOpenEye OEToolkits2.0.7 c1cc2cc(c1)OCCCCOc3cccc(c3)C4=NC(=O)C(C(=N4)C(=O)NCC2)O
InChIInChI1.03 InChI=1S/C23H23N3O5/c27-20-19-22(28)24-10-9-15-5-3-7-17(13-15)30-11-1-2-12-31-18-8-4-6-16(14-18)21(25-19)26-23(20)29/h3-8,13-14,20,27H,1-2,9-12H2,(H,24,28)
InChIKeyInChI1.03 HUEWTLLMWLXBIR-UHFFFAOYSA-N