Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C78H106N18O20S2 |
Molecular Weight | 1679.915 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 15 / 15 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@]([H])(NC(=O)[C@H](CC6=CC=CC=C6)NC1=O)[C@@H](C)O)C(O)=O)NC(=O)CNC(=O)[C@H](C)NC(C)=O)[C@@H](C)O
InChI
InChIKey=UMKSPLVFRCJVTD-QRWDWOIOSA-N
InChI=1S/C78H106N18O20S2/c1-42(84-45(4)100)66(103)83-38-63(102)85-60-40-117-118-41-61(78(115)116)94-74(111)59(39-97)93-77(114)65(44(3)99)96-73(110)56(34-48-24-12-7-13-25-48)92-76(113)64(43(2)98)95-68(105)53(29-17-19-31-80)86-71(108)57(35-49-37-82-51-27-15-14-26-50(49)51)90-70(107)55(33-47-22-10-6-11-23-47)88-69(106)54(32-46-20-8-5-9-21-46)89-72(109)58(36-62(81)101)91-67(104)52(87-75(60)112)28-16-18-30-79/h5-15,20-27,37,42-44,52-61,64-65,82,97-99H,16-19,28-36,38-41,79-80H2,1-4H3,(H2,81,101)(H,83,103)(H,84,100)(H,85,102)(H,86,108)(H,87,112)(H,88,106)(H,89,109)(H,90,107)(H,91,104)(H,92,113)(H,93,114)(H,94,111)(H,95,105)(H,96,110)(H,115,116)/t42-,43+,44+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1
Molecular Formula | C78H106N18O20S2 |
Molecular Weight | 1679.915 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 15 / 15 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:49:59 GMT 2023
by
admin
on
Sat Dec 16 19:49:59 GMT 2023
|
Record UNII |
GA3HTL9RTH
|
Record Status |
Validated (UNII)
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Record Version |
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-
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167713295
Created by
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GA3HTL9RTH
Created by
admin on Sat Dec 16 19:49:59 GMT 2023 , Edited by admin on Sat Dec 16 19:49:59 GMT 2023
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66587-33-5
Created by
admin on Sat Dec 16 19:49:59 GMT 2023 , Edited by admin on Sat Dec 16 19:49:59 GMT 2023
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Related Record | Type | Details | ||
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PARENT -> IMPURITY |
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