Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C79H137N17O19 |
Molecular Weight | 1629.0356 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 18 / 18 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@]1(CCN=C(NC)N1C)[C@]2([H])NC(=O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)C(\NC(=O)[C@@H](C)NC(=O)[C@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@H]([C@H](C)O)N(C)C(=O)[C@@H]3CCCN3C(=O)CCCCCCCCCCCCC)C(C)C)[C@H](C)CC)=C\C)[C@@H](C)OC2=O)C(C)C)C(C)C)[C@H](C)O)[C@H](C)CC
InChI
InChIKey=NMIHMNBUALMOFZ-MEWDGPDKSA-N
InChI=1S/C79H137N17O19/c1-20-24-25-26-27-28-29-30-31-32-33-36-56(101)96-39-34-35-54(96)77(113)95(19)65(49(15)99)76(112)82-40-55(100)86-57(42(5)6)69(105)90-60(45(11)21-2)72(108)83-47(13)66(102)84-51(23-4)67(103)92-63-50(16)115-78(114)64(53-37-38-81-79(80-17)94(53)18)93-73(109)61(46(12)22-3)89-68(104)52(41-97)85-74(110)62(48(14)98)91-71(107)59(44(9)10)87-70(106)58(43(7)8)88-75(63)111/h23,42-50,52-54,57-65,97-99H,20-22,24-41H2,1-19H3,(H,80,81)(H,82,112)(H,83,108)(H,84,102)(H,85,110)(H,86,100)(H,87,106)(H,88,111)(H,89,104)(H,90,105)(H,91,107)(H,92,103)(H,93,109)/b51-23-/t45-,46-,47-,48+,49+,50-,52+,53+,54+,57-,58-,59+,60-,61-,62-,63-,64+,65+/m1/s1
Molecular Formula | C79H137N17O19 |
Molecular Weight | 1629.0356 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 18 / 18 |
E/Z Centers | 1 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 18:57:52 GMT 2023
by
admin
on
Sat Dec 16 18:57:52 GMT 2023
|
Record UNII |
Y6W6TE4XES
|
Record Status |
Validated (UNII)
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Record Version |
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-
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Y6W6TE4XES
Created by
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162394587
Created by
admin on Sat Dec 16 18:57:52 GMT 2023 , Edited by admin on Sat Dec 16 18:57:52 GMT 2023
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PRIMARY |