Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C30H39N5O7S2 |
Molecular Weight | 645.79 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)C(=O)NCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@H]1C(O)=O
InChI
InChIKey=MCMMCRYPQBNCPH-WMIMKTLMSA-N
InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21-,23-,24-/m0/s1
Molecular Formula | C30H39N5O7S2 |
Molecular Weight | 645.79 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:42:20 GMT 2023
by
admin
on
Fri Dec 15 15:42:20 GMT 2023
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Record UNII |
HB4QD9GL6F
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Record Status |
Validated (UNII)
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Record Version |
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-
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DADLE
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DTXSID40979842
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104787
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88373-73-3
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HB4QD9GL6F
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DB08856
Created by
admin on Fri Dec 15 15:42:20 GMT 2023 , Edited by admin on Fri Dec 15 15:42:20 GMT 2023
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Related Record | Type | Details | ||
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TARGET -> INHIBITOR |
IC50
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TARGET -> AGONIST |
Kd
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TARGET -> AGONIST |
BINDING
IC50
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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