Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C45H83N23O14S2 |
Molecular Weight | 1234.416 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 9 / 9 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](C)NC(=O)[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)NC(C)=O)C(=O)N[C@H](CCCNC(N)=N)C(N)=O
InChI
InChIKey=YMANZFUJXRVEOX-VSZUPWKTSA-N
InChI=1S/C45H83N23O14S2/c1-21(34(74)65-25(33(47)73)8-4-14-56-42(48)49)61-37(77)26(9-5-15-57-43(50)51)67-39(79)28(11-7-17-59-45(54)55)68-38(78)27(10-6-16-58-44(52)53)66-35(75)22(2)62-40(80)30(63-23(3)69)20-84-83-19-29(36(76)60-18-32(71)72)64-31(70)13-12-24(46)41(81)82/h21-22,24-30H,4-20,46H2,1-3H3,(H2,47,73)(H,60,76)(H,61,77)(H,62,80)(H,63,69)(H,64,70)(H,65,74)(H,66,75)(H,67,79)(H,68,78)(H,71,72)(H,81,82)(H4,48,49,56)(H4,50,51,57)(H4,52,53,58)(H4,54,55,59)/t21-,22-,24+,25-,26-,27-,28-,29+,30-/m1/s1
Molecular Formula | C45H83N23O14S2 |
Molecular Weight | 1234.416 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 9 / 9 |
E/Z Centers | 2 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 13:44:34 GMT 2023
by
admin
on
Sat Dec 16 13:44:34 GMT 2023
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Record UNII |
62UB4Z963Y
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Record Status |
Validated (UNII)
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Record Version |
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-
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156613900
Created by
admin on Sat Dec 16 13:44:34 GMT 2023 , Edited by admin on Sat Dec 16 13:44:34 GMT 2023
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PRIMARY | |||
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62UB4Z963Y
Created by
admin on Sat Dec 16 13:44:34 GMT 2023 , Edited by admin on Sat Dec 16 13:44:34 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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TARGET -> AGONIST |
Related Record | Type | Details | ||
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PARENT -> METABOLITE LESS ACTIVE |