Details
| Stereochemistry | EPIMERIC |
| Molecular Formula | C30H39N7O9S.C2H4O2 |
| Molecular Weight | 733.789 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 5 |
| E/Z Centers | 0 |
| Charge | 0 |
| Stereo Comments | Assumed epimeric |
SHOW SMILES / InChI
SMILES
CC(O)=O.C[S+]([O-])CC[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)NCC(=O)N[C@@H](CC2=CC=C(C=C2)[N+]([O-])=O)C(=O)N3CCC[C@H]3C(N)=O
InChI
InChIKey=FQGZOHCZCBITHQ-PRQKMLKRSA-N
InChI=1S/C30H39N7O9S.C2H4O2/c1-47(46)14-12-23(35-28(41)22(31)15-18-6-10-21(38)11-7-18)29(42)33-17-26(39)34-24(16-19-4-8-20(9-5-19)37(44)45)30(43)36-13-2-3-25(36)27(32)40;1-2(3)4/h4-11,22-25,38H,2-3,12-17,31H2,1H3,(H2,32,40)(H,33,42)(H,34,39)(H,35,41);1H3,(H,3,4)/t22-,23+,24-,25-,47?;/m0./s1
| Molecular Formula | C2H4O2 |
| Molecular Weight | 60.052 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C30H39N7O9S |
| Molecular Weight | 673.737 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 18:26:29 GMT 2025
by
admin
on
Mon Mar 31 18:26:29 GMT 2025
|
| Record UNII |
5TBZ91WF5Y
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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5TBZ91WF5Y
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145925536
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DTXSID10913334
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98311-64-9
Created by
admin on Mon Mar 31 18:26:29 GMT 2025 , Edited by admin on Mon Mar 31 18:26:29 GMT 2025
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| Related Record | Type | Details | ||
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