Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C30H36N6O3.C4H4O4 |
| Molecular Weight | 644.7174 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 2 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C\C(O)=O.CC(C)[C@H](C(=O)NC1=NNC(=C1)C2CC2)C3=CC(=CC=C3)C4=CN=C(NC(=O)\C=C\CN5CCOCC5)C=C4
InChI
InChIKey=STPQNEVZIQTGDT-XHPAWBOPSA-N
InChI=1S/C30H36N6O3.C4H4O4/c1-20(2)29(30(38)33-27-18-25(34-35-27)21-8-9-21)23-6-3-5-22(17-23)24-10-11-26(31-19-24)32-28(37)7-4-12-36-13-15-39-16-14-36;5-3(6)1-2-4(7)8/h3-7,10-11,17-21,29H,8-9,12-16H2,1-2H3,(H,31,32,37)(H2,33,34,35,38);1-2H,(H,5,6)(H,7,8)/b7-4+;2-1+/t29-;/m0./s1
| Molecular Formula | C30H36N6O3 |
| Molecular Weight | 528.6452 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C4H4O4 |
| Molecular Weight | 116.0722 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 17:31:12 GMT 2023
by
admin
on
Sat Dec 16 17:31:12 GMT 2023
|
| Record UNII |
F6QA2R2TPY
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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F6QA2R2TPY
Created by
admin on Sat Dec 16 17:31:12 GMT 2023 , Edited by admin on Sat Dec 16 17:31:12 GMT 2023
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2788876-22-0
Created by
admin on Sat Dec 16 17:31:12 GMT 2023 , Edited by admin on Sat Dec 16 17:31:12 GMT 2023
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PRIMARY |
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