Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C39H50F4N6O9S |
| Molecular Weight | 854.9103 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 8 / 8 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC[C@]1([H])[C@]2([H])CN([C@]1([H])C(=N[C@@]3(C[C@@]3([H])C(F)F)C(=NS(=O)(=O)C4(C)CC4)O)O)C(=O)[C@]([H])(C(C)(C)C)N=C(O)O[C@]5([H])C[C@@]5([H])CCCCC(c6c(nc7cc(ccc7n6)O)O2)(F)F
InChI
InChIKey=RHYSRNSDZIVMMW-GMZSKHLOSA-N
InChI=1S/C39H50F4N6O9S/c1-6-21-26-18-49(27(21)31(51)47-38(17-22(38)30(40)41)34(53)48-59(55,56)37(5)13-14-37)33(52)29(36(2,3)4)46-35(54)58-25-15-19(25)9-7-8-12-39(42,43)28-32(57-26)45-24-16-20(50)10-11-23(24)44-28/h10-11,16,19,21-22,25-27,29-30,50H,6-9,12-15,17-18H2,1-5H3,(H,46,54)(H,47,51)(H,48,53)/t19-,21-,22+,25-,26+,27+,29-,38-/m1/s1
| Molecular Formula | C39H50F4N6O9S |
| Molecular Weight | 854.9103 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 8 / 8 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Jun 26 04:11:40 UTC 2021
by
admin
on
Sat Jun 26 04:11:40 UTC 2021
|
| Record UNII |
8GK2CZ2M2B
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Common Name | English | ||
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Common Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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139593486
Created by
admin on Sat Jun 26 04:11:40 UTC 2021 , Edited by admin on Sat Jun 26 04:11:40 UTC 2021
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PRIMARY | |||
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8GK2CZ2M2B
Created by
admin on Sat Jun 26 04:11:40 UTC 2021 , Edited by admin on Sat Jun 26 04:11:40 UTC 2021
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
FECAL
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