Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C76H106N20O18S3 |
Molecular Weight | 1683.973 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 13 / 13 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]12CCN1C(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CO)NC(=O)[C@H](CSCC4=CC5=CC(CSC[C@]([H])(NC(=O)[C@H](CCCCNC(N)=N)NC(=O)[C@H](CC6=CC=C(O)C=C6)NC2=O)C(=O)N[C@@H](C)CN[C@@H](CC7=CN=CN7)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSC5)C(N)=O)=C4)NC(C)=O
InChI
InChIKey=LTTOZAFALSJSEY-GEIPQBTESA-N
InChI=1S/C76H106N20O18S3/c1-40(2)22-53-68(107)94-58(64(78)103)36-115-33-45-23-46-25-47(24-45)35-117-38-60(72(111)85-41(3)30-83-52(28-48-31-81-39-84-48)67(106)88-51(17-18-62(77)100)66(105)90-55(29-63(101)102)70(109)89-53)95-65(104)50(12-8-9-20-82-76(79)80)87-69(108)54(26-44-13-15-49(99)16-14-44)91-74(113)61-19-21-96(61)75(114)56(27-43-10-6-5-7-11-43)92-71(110)57(32-97)93-73(112)59(37-116-34-46)86-42(4)98/h5-7,10-11,13-16,23-25,31,39-41,50-61,83,97,99H,8-9,12,17-22,26-30,32-38H2,1-4H3,(H2,77,100)(H2,78,103)(H,81,84)(H,85,111)(H,86,98)(H,87,108)(H,88,106)(H,89,109)(H,90,105)(H,91,113)(H,92,110)(H,93,112)(H,94,107)(H,95,104)(H,101,102)(H4,79,80,82)/t41-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-/m0/s1
Molecular Formula | C76H106N20O18S3 |
Molecular Weight | 1683.973 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 13 / 13 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 14:28:00 GMT 2023
by
admin
on
Sat Dec 16 14:28:00 GMT 2023
|
Record UNII |
OV42G2O3SQ
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Record Status |
Validated (UNII)
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Record Version |
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-
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168510686
Created by
admin on Sat Dec 16 14:28:01 GMT 2023 , Edited by admin on Sat Dec 16 14:28:01 GMT 2023
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OV42G2O3SQ
Created by
admin on Sat Dec 16 14:28:01 GMT 2023 , Edited by admin on Sat Dec 16 14:28:01 GMT 2023
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12748
Created by
admin on Sat Dec 16 14:28:01 GMT 2023 , Edited by admin on Sat Dec 16 14:28:01 GMT 2023
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1631160-47-8
Created by
admin on Sat Dec 16 14:28:01 GMT 2023 , Edited by admin on Sat Dec 16 14:28:01 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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TARGET -> INHIBITOR |
Ki
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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