Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C50H70N10O16 |
| Molecular Weight | 1067.1482 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)C[C@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCCCNC(=O)C1=CC=C(OC2=CC=C(C=C2)C(N)=O)C=C1)C(=O)N(C)[C@@H](CCC(O)=O)C(=O)N3CCC[C@H]3CC(N)=O
InChI
InChIKey=FVDPKGPPYGTKTO-DLXWRWKMSA-N
InChI=1S/C50H70N10O16/c1-28(2)25-37(49(74)59(3)38(18-20-42(65)66)50(75)60-24-6-7-31(60)26-39(52)61)58-47(72)35(21-22-51)56-48(73)36(27-43(67)68)57-46(71)34(17-19-41(63)64)55-40(62)8-4-5-23-54-45(70)30-11-15-33(16-12-30)76-32-13-9-29(10-14-32)44(53)69/h9-16,28,31,34-38H,4-8,17-27,51H2,1-3H3,(H2,52,61)(H2,53,69)(H,54,70)(H,55,62)(H,56,73)(H,57,71)(H,58,72)(H,63,64)(H,65,66)(H,67,68)/t31-,34-,35-,36-,37-,38-/m0/s1
| Molecular Formula | C50H70N10O16 |
| Molecular Weight | 1067.1482 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:28:00 GMT 2023
by
admin
on
Sat Dec 16 19:28:00 GMT 2023
|
| Record UNII |
74RNN4L7X5
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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74RNN4L7X5
Created by
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2787582-17-4
Created by
admin on Sat Dec 16 19:28:01 GMT 2023 , Edited by admin on Sat Dec 16 19:28:01 GMT 2023
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163410393
Created by
admin on Sat Dec 16 19:28:01 GMT 2023 , Edited by admin on Sat Dec 16 19:28:01 GMT 2023
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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TARGET -> INHIBITOR |
IC50
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OFF TARGET->NON-INHIBITOR |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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