Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C28H39N3O12S2 |
| Molecular Weight | 673.752 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 8 / 8 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1(C)CCC[C@H](NC(=O)[C@H](CC2=CC=CC=C2)SSC[C@H](N)C(O)=O)C(=O)N1CC(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O
InChI
InChIKey=AAVNTHLTPGSTFF-KLPVVVBTSA-N
InChI=1S/C28H39N3O12S2/c1-28(2)10-6-9-16(30-23(36)17(11-14-7-4-3-5-8-14)45-44-13-15(29)25(38)39)24(37)31(28)12-18(32)42-27-21(35)19(33)20(34)22(43-27)26(40)41/h3-5,7-8,15-17,19-22,27,33-35H,6,9-13,29H2,1-2H3,(H,30,36)(H,38,39)(H,40,41)/t15-,16-,17-,19-,20-,21+,22-,27+/m0/s1
| Molecular Formula | C28H39N3O12S2 |
| Molecular Weight | 673.752 |
| 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 Dec 16 16:12:50 GMT 2023
by
admin
on
Sat Dec 16 16:12:50 GMT 2023
|
| Record UNII |
YU78Z7XX9G
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Common Name | English |
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YU78Z7XX9G
Created by
admin on Sat Dec 16 16:12:50 GMT 2023 , Edited by admin on Sat Dec 16 16:12:50 GMT 2023
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156613636
Created by
admin on Sat Dec 16 16:12:50 GMT 2023 , Edited by admin on Sat Dec 16 16:12:50 GMT 2023
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908118-76-3
Created by
admin on Sat Dec 16 16:12:50 GMT 2023 , Edited by admin on Sat Dec 16 16:12:50 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
MAJOR
URINE
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