Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C46H65N15O12S2 |
| Molecular Weight | 1090.256 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 8 / 8 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[3H]C1=CC(C[C@@H]2NC(=O)[C@H](CC3=CC=C(O)C=C3)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC2=O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)=CC([3H])=C1[3H]
InChI
InChIKey=KBZOIRJILGZLEJ-QQMYEBLASA-N
InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1/i1T,2T,3T
| Molecular Formula | C46H65N15O12S2 |
| Molecular Weight | 1090.256 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 8 / 8 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 20:09:19 UTC 2023
by
admin
on
Sat Dec 16 20:09:19 UTC 2023
|
| Record UNII |
Z9RG9QT23C
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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| Code System | Code | Type | Description | ||
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316808-15-8
Created by
admin on Sat Dec 16 20:09:20 UTC 2023 , Edited by admin on Sat Dec 16 20:09:20 UTC 2023
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Z9RG9QT23C
Created by
admin on Sat Dec 16 20:09:20 UTC 2023 , Edited by admin on Sat Dec 16 20:09:20 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
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NON-LABELED -> LABELED |
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TARGET->RADIOLIGAND |
Kd
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