Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C66H98N16O17S |
| Molecular Weight | 1419.646 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 13 / 13 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC[C@H](C)[C@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)C1=CSC(=N1)C(=O)[C@@H](C)CC)C(=O)N[C@H]2CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@@H](CC4=CC=CC=C4)NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC2=O)[C@@H](C)CC
InChI
InChIKey=FCLQHQCOKGKLHR-QSGKKNHLSA-N
InChI=1S/C66H98N16O17S/c1-9-35(6)52(82-58(92)42(22-23-50(84)85)73-59(93)43(26-34(4)5)75-63(97)48-32-100-66(80-48)54(88)37(8)11-3)64(98)74-40-20-15-16-25-70-55(89)46(29-49(68)83)77-62(96)47(30-51(86)87)78-61(95)45(28-39-31-69-33-71-39)76-60(94)44(27-38-18-13-12-14-19-38)79-65(99)53(36(7)10-2)81-57(91)41(21-17-24-67)72-56(40)90/h12-14,18-19,31-37,40-47,52-53H,9-11,15-17,20-30,67H2,1-8H3,(H2,68,83)(H,69,71)(H,70,89)(H,72,90)(H,73,93)(H,74,98)(H,75,97)(H,76,94)(H,77,96)(H,78,95)(H,79,99)(H,81,91)(H,82,92)(H,84,85)(H,86,87)/t35-,36-,37-,40-,41+,42+,43-,44+,45-,46-,47+,52-,53-/m0/s1
| Molecular Formula | C66H98N16O17S |
| Molecular Weight | 1419.646 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 13 / 13 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 12:51:26 GMT 2025
by
admin
on
Wed Apr 02 12:51:26 GMT 2025
|
| Record UNII |
W7FFC6JWF9
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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Common Name | English | ||
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156613976
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DTXSID10858771
Created by
admin on Wed Apr 02 12:51:26 GMT 2025 , Edited by admin on Wed Apr 02 12:51:26 GMT 2025
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W7FFC6JWF9
Created by
admin on Wed Apr 02 12:51:26 GMT 2025 , Edited by admin on Wed Apr 02 12:51:26 GMT 2025
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22601-63-4
Created by
admin on Wed Apr 02 12:51:26 GMT 2025 , Edited by admin on Wed Apr 02 12:51:26 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
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