Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C23H16O6.2C22H29N3O6S |
Molecular Weight | 1315.464 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 8 / 8 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)C1=CC2=C(C=CC=C2)C(CC3=C4C=CC=CC4=CC(C(O)=O)=C3O)=C1O.[H][C@]56SC(C)(C)[C@@H](N5C(=O)[C@H]6NC(=O)[C@H](N)C7=CC=CC=C7)C(=O)OCOC(=O)C(C)(C)C.[H][C@]89SC(C)(C)[C@@H](N8C(=O)[C@H]9NC(=O)[C@H](N)C%10=CC=CC=C%10)C(=O)OCOC(=O)C(C)(C)C
InChI
InChIKey=RYPIBFIQHKWKBM-WDPVPZODSA-N
InChI=1S/C23H16O6.2C22H29N3O6S/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;2*1-21(2,3)20(29)31-11-30-19(28)15-22(4,5)32-18-14(17(27)25(15)18)24-16(26)13(23)12-9-7-6-8-10-12/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2*6-10,13-15,18H,11,23H2,1-5H3,(H,24,26)/t;2*13-,14-,15+,18-/m.11/s1
Molecular Formula | C22H29N3O6S |
Molecular Weight | 463.547 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C23H16O6 |
Molecular Weight | 388.3695 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:24:14 UTC 2023
by
admin
on
Fri Dec 15 16:24:14 UTC 2023
|
Record UNII |
5Z5TRG74EY
|
Record Status |
Validated (UNII)
|
Record Version |
|
-
Download
Name | Type | Language | ||
---|---|---|---|---|
|
Official Name | English | ||
|
Systematic Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English |
Classification Tree | Code System | Code | ||
---|---|---|---|---|
|
NCI_THESAURUS |
C1500
Created by
admin on Fri Dec 15 16:24:14 UTC 2023 , Edited by admin on Fri Dec 15 16:24:14 UTC 2023
|
Code System | Code | Type | Description | ||
---|---|---|---|---|---|
|
39030-72-3
Created by
admin on Fri Dec 15 16:24:14 UTC 2023 , Edited by admin on Fri Dec 15 16:24:14 UTC 2023
|
PRIMARY | |||
|
5Z5TRG74EY
Created by
admin on Fri Dec 15 16:24:14 UTC 2023 , Edited by admin on Fri Dec 15 16:24:14 UTC 2023
|
PRIMARY | |||
|
20055543
Created by
admin on Fri Dec 15 16:24:14 UTC 2023 , Edited by admin on Fri Dec 15 16:24:14 UTC 2023
|
PRIMARY | |||
|
CHEMBL323354
Created by
admin on Fri Dec 15 16:24:14 UTC 2023 , Edited by admin on Fri Dec 15 16:24:14 UTC 2023
|
PRIMARY | |||
|
C73835
Created by
admin on Fri Dec 15 16:24:14 UTC 2023 , Edited by admin on Fri Dec 15 16:24:14 UTC 2023
|
PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
|
PARENT -> SALT/SOLVATE | |||
|
PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
---|---|---|---|---|
|
ACTIVE MOIETY |