Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C21H27N3O6S |
Molecular Weight | 449.5225 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1(C)[C@]([H])(C(=O)OCOC)N2C(=O)[C@]([H])([C@@]2([H])S1)N3C(=O)[C@@]([H])(c4ccc(cc4)O)NC3(C)C
InChI
InChIKey=XMNFWSAYWSUJMH-ZXFNITATSA-N
InChI=1S/C21H27N3O6S/c1-20(2)15(19(28)30-10-29-5)23-17(27)14(18(23)31-20)24-16(26)13(22-21(24,3)4)11-6-8-12(25)9-7-11/h6-9,13-15,18,22,25H,10H2,1-5H3/t13-,14-,15+,18-/m1/s1
Molecular Formula | C21H27N3O6S |
Molecular Weight | 449.5225 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Jun 26 00:05:09 UTC 2021
by
admin
on
Sat Jun 26 00:05:09 UTC 2021
|
Record UNII |
R15K9Z4384
|
Record Status |
Validated (UNII)
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Record Version |
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-
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Official Name | English | ||
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Common Name | English | ||
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Code | English | ||
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Common Name | English | ||
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Common Name | English |
Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C1500
Created by
admin on Sat Jun 26 00:05:09 UTC 2021 , Edited by admin on Sat Jun 26 00:05:09 UTC 2021
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Code System | Code | Type | Description | ||
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67337-44-4
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SUB10453MIG
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R15K9Z4384
Created by
admin on Sat Jun 26 00:05:09 UTC 2021 , Edited by admin on Sat Jun 26 00:05:09 UTC 2021
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C82302
Created by
admin on Sat Jun 26 00:05:09 UTC 2021 , Edited by admin on Sat Jun 26 00:05:09 UTC 2021
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CHEMBL2106475
Created by
admin on Sat Jun 26 00:05:09 UTC 2021 , Edited by admin on Sat Jun 26 00:05:09 UTC 2021
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4644
Created by
admin on Sat Jun 26 00:05:09 UTC 2021 , Edited by admin on Sat Jun 26 00:05:09 UTC 2021
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C031432
Created by
admin on Sat Jun 26 00:05:09 UTC 2021 , Edited by admin on Sat Jun 26 00:05:09 UTC 2021
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76956224
Created by
admin on Sat Jun 26 00:05:09 UTC 2021 , Edited by admin on Sat Jun 26 00:05:09 UTC 2021
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PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
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METABOLITE ACTIVE -> PRODRUG |