Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C27H32N4O8S |
| Molecular Weight | 572.63 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@@H](CNCCC1=CC=C(NC(=O)CC2=CSC(N[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=N2)C=C1)C4=CC=CC=C4
InChI
InChIKey=YBQVFLMYXJIJCA-ZEJZDXSBSA-N
InChI=1S/C27H32N4O8S/c32-19(16-4-2-1-3-5-16)13-28-11-10-15-6-8-17(9-7-15)29-20(33)12-18-14-40-27(30-18)31-25-23(36)21(34)22(35)24(39-25)26(37)38/h1-9,14,19,21-25,28,32,34-36H,10-13H2,(H,29,33)(H,30,31)(H,37,38)/t19-,21-,22-,23+,24-,25+/m0/s1
| Molecular Formula | C27H32N4O8S |
| Molecular Weight | 572.63 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sun Dec 18 02:04:03 UTC 2022
by
admin
on
Sun Dec 18 02:04:03 UTC 2022
|
| Record UNII |
8Y8XEI3LHC
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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Code | English |
| Code System | Code | Type | Description | ||
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91810675
Created by
admin on Sun Dec 18 02:04:04 UTC 2022 , Edited by admin on Sun Dec 18 02:04:04 UTC 2022
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PRIMARY | |||
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1365244-68-3
Created by
admin on Sun Dec 18 02:04:04 UTC 2022 , Edited by admin on Sun Dec 18 02:04:04 UTC 2022
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PRIMARY | |||
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8Y8XEI3LHC
Created by
admin on Sun Dec 18 02:04:04 UTC 2022 , Edited by admin on Sun Dec 18 02:04:04 UTC 2022
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
PLASMA; URINE
|
