Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C45H57N9O10S2 |
Molecular Weight | 948.118 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 8 / 8 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=C(O)C=C3)C(=O)N[C@H](CC4=CNC5=CC=CC=C45)C(=O)N[C@@H](CCCCN)C(=O)N1)C(O)=O
InChI
InChIKey=DXQQMVXZVPACPE-DYCFWDQMSA-N
InChI=1S/C45H57N9O10S2/c1-25(55)38(45(63)64)54-44(62)37-24-66-65-23-36(52-39(57)31(47)19-26-9-3-2-4-10-26)43(61)50-34(20-27-14-16-29(56)17-15-27)41(59)51-35(21-28-22-48-32-12-6-5-11-30(28)32)42(60)49-33(40(58)53-37)13-7-8-18-46/h2-6,9-12,14-17,22,25,31,33-38,48,55-56H,7-8,13,18-21,23-24,46-47H2,1H3,(H,49,60)(H,50,61)(H,51,59)(H,52,57)(H,53,58)(H,54,62)(H,63,64)/t25-,31-,33+,34+,35-,36+,37+,38+/m1/s1
Molecular Formula | C45H57N9O10S2 |
Molecular Weight | 948.118 |
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 13:27:01 GMT 2023
by
admin
on
Sat Dec 16 13:27:01 GMT 2023
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Record UNII |
TN2JCA9EQ0
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Record Status |
Validated (UNII)
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Record Version |
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-
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TN2JCA9EQ0
Created by
admin on Sat Dec 16 13:27:01 GMT 2023 , Edited by admin on Sat Dec 16 13:27:01 GMT 2023
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124220570
Created by
admin on Sat Dec 16 13:27:01 GMT 2023 , Edited by admin on Sat Dec 16 13:27:01 GMT 2023
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PRIMARY |