NVR

(1P,18Z)-5-hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.1~2,6~.1~11,15~]octacosa-1(26),2(28),5,11(27),12,14,18,22,24-nonaene-4,7-dione

Created: 2022-04-11
Last modified:  2022-10-12

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Chemical Details

Formal Charge0
Atom Count52
Chiral Atom Count0
Bond Count55
Aromatic Bond Count12
2D diagram of NVR
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Chemical Component Summary

Name(1P,18Z)-5-hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.1~2,6~.1~11,15~]octacosa-1(26),2(28),5,11(27),12,14,18,22,24-nonaene-4,7-dione
SynonymsSJ001034732-1 (Cis-form)
Systematic Name (OpenEye OEToolkits)n/a
FormulaC23 H21 N3 O5
Molecular Weight419.43
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=C1NCCc2cc(ccc2)OCC=CCOc2cccc(c2)C2=NC1=C(O)C(=O)N2
SMILESCACTVS3.385OC1=C2N=C(NC1=O)c3cccc(OCC=CCOc4cccc(CCNC2=O)c4)c3
SMILESOpenEye OEToolkits2.0.7c1cc2cc(c1)OCC=CCOc3cccc(c3)C4=NC(=C(C(=O)N4)O)C(=O)NCC2
Canonical SMILESCACTVS3.385 OC1=C2N=C(NC1=O)c3cccc(OC\C=C/COc4cccc(CCNC2=O)c4)c3
Canonical SMILESOpenEye OEToolkits2.0.7 c1cc2cc(c1)OC/C=C\COc3cccc(c3)C4=NC(=C(C(=O)N4)O)C(=O)NCC2
InChIInChI1.03 InChI=1S/C23H21N3O5/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/h1-8,13-14,27H,9-12H2,(H,24,28)(H,25,26,29)/b2-1-
InChIKeyInChI1.03 BGEWHIHKXORALY-UPHRSURJSA-N

Related Resource References

Resource NameReference
PubChem 165368573