Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C78H135N17O19 |
| Molecular Weight | 1615.009 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 18 / 18 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCCCCCCCCCCCC(=O)N1CCC[C@H]1C(=O)N(C)[C@@H]([C@H](C)O)C(=O)NCC(=O)N[C@H](C(C)C)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@H](C)C(=O)N\C(=C/C)C(=O)N[C@@H]2[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC2=O)C(C)C)C(C)C)[C@H](C)O)[C@H](C)CC)[C@@H]3CCN=C(NC)N3C
InChI
InChIKey=IMLZRKANSNKLQG-KZOSVTNJSA-N
InChI=1S/C78H135N17O19/c1-20-24-25-26-27-28-29-30-31-32-35-55(100)95-38-33-34-53(95)76(112)94(19)64(48(15)98)75(111)81-39-54(99)85-56(41(5)6)68(104)89-59(44(11)21-2)71(107)82-46(13)65(101)83-50(23-4)66(102)91-62-49(16)114-77(113)63(52-36-37-80-78(79-17)93(52)18)92-72(108)60(45(12)22-3)88-67(103)51(40-96)84-73(109)61(47(14)97)90-70(106)58(43(9)10)86-69(105)57(42(7)8)87-74(62)110/h23,41-49,51-53,56-64,96-98H,20-22,24-40H2,1-19H3,(H,79,80)(H,81,111)(H,82,107)(H,83,101)(H,84,109)(H,85,99)(H,86,105)(H,87,110)(H,88,103)(H,89,104)(H,90,106)(H,91,102)(H,92,108)/b50-23-/t44-,45-,46-,47+,48+,49-,51+,52+,53+,56-,57-,58+,59-,60-,61-,62-,63+,64+/m1/s1
| Molecular Formula | C78H135N17O19 |
| Molecular Weight | 1615.009 |
| 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
Wed Apr 02 13:36:14 GMT 2025
by
admin
on
Wed Apr 02 13:36:14 GMT 2025
|
| Record UNII |
5XB28E4Z26
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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162394594
Created by
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