Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C50H66I2N12O10S2 |
Molecular Weight | 1313.072 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 9 / 9 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CC4=CC(I)=C(O)C=C4)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@H](N)CC5=CC=C(N)C(I)=C5
InChI
InChIKey=ISZMJWBQCGWNNM-DQIXCUPKSA-N
InChI=1S/C50H66I2N12O10S2/c1-24(2)41-50(74)62-39(49(73)64-42(25(3)65)43(56)67)23-76-75-22-38(61-44(68)33(55)18-26-11-13-32(54)30(51)16-26)48(72)59-36(19-27-12-14-40(66)31(52)17-27)46(70)60-37(20-28-21-57-34-9-5-4-8-29(28)34)47(71)58-35(45(69)63-41)10-6-7-15-53/h4-5,8-9,11-14,16-17,21,24-25,33,35-39,41-42,57,65-66H,6-7,10,15,18-20,22-23,53-55H2,1-3H3,(H2,56,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,74)(H,63,69)(H,64,73)/t25-,33-,35+,36+,37-,38+,39+,41+,42+/m1/s1
Molecular Formula | C50H66I2N12O10S2 |
Molecular Weight | 1313.072 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 9 / 9 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 13:28:32 UTC 2023
by
admin
on
Sat Dec 16 13:28:32 UTC 2023
|
Record UNII |
EW91FWW4HC
|
Record Status |
Validated (UNII)
|
Record Version |
|
-
Download
Name | Type | Language | ||
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Common Name | English | ||
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Systematic Name | English | ||
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Common Name | English | ||
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Code | English |
Classification Tree | Code System | Code | ||
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FDA ORPHAN DRUG |
540916
Created by
admin on Sat Dec 16 13:28:32 UTC 2023 , Edited by admin on Sat Dec 16 13:28:32 UTC 2023
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Code System | Code | Type | Description | ||
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SUB195649
Created by
admin on Sat Dec 16 13:28:32 UTC 2023 , Edited by admin on Sat Dec 16 13:28:32 UTC 2023
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PRIMARY | |||
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EW91FWW4HC
Created by
admin on Sat Dec 16 13:28:32 UTC 2023 , Edited by admin on Sat Dec 16 13:28:32 UTC 2023
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PRIMARY | |||
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11586258
Created by
admin on Sat Dec 16 13:28:32 UTC 2023 , Edited by admin on Sat Dec 16 13:28:32 UTC 2023
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PRIMARY | |||
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846569-60-6
Created by
admin on Sat Dec 16 13:28:32 UTC 2023 , Edited by admin on Sat Dec 16 13:28:32 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
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TARGET->LIGAND |
IN-VITRO
IC50
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TARGET->LIGAND |
IN-VITRO
IC50
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Related Record | Type | Details | ||
---|---|---|---|---|
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ACTIVE MOIETY |