Details
| Stereochemistry | EPIMERIC |
| Molecular Formula | C76H104N12O24S |
| Molecular Weight | 1601.77 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCC1=C2C=C(O)C=CC2=NC3=C1CN4C3=CC5=C(COC(=O)[C@@]5(CC)OC(=O)OCC6=CC=C(NC(=O)[C@H](CCCCN)NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCN7C=C(CNC(=O)C8CCC(CN9C(=O)CC(SC[C@H](N)C(O)=O)C9=O)CC8)N=N7)C=C6)C4=O
InChI
InChIKey=ULRUOUDIQPERIJ-PQURJYPBSA-N
InChI=1S/C76H104N12O24S/c1-3-55-56-37-54(89)16-17-61(56)83-68-57(55)43-87-63(68)38-59-58(71(87)95)45-110-74(99)76(59,4-2)112-75(100)111-44-50-10-14-52(15-11-50)81-70(94)62(7-5-6-18-77)82-66(91)47-109-46-65(90)79-19-21-101-23-25-103-27-29-105-31-33-107-35-36-108-34-32-106-30-28-104-26-24-102-22-20-86-42-53(84-85-86)40-80-69(93)51-12-8-49(9-13-51)41-88-67(92)39-64(72(88)96)113-48-60(78)73(97)98/h10-11,14-17,37-38,42,49,51,60,62,64,89H,3-9,12-13,18-36,39-41,43-48,77-78H2,1-2H3,(H,79,90)(H,80,93)(H,81,94)(H,82,91)(H,97,98)/t49?,51?,60-,62-,64?,76-/m0/s1
| Molecular Formula | C76H104N12O24S |
| Molecular Weight | 1601.77 |
| Charge | 0 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 14:20:13 GMT 2023
by
admin
on
Sat Dec 16 14:20:13 GMT 2023
|
| Record UNII |
DA64T2C2IO
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Code System | Code | Type | Description | ||
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DA64T2C2IO
Created by
admin on Sat Dec 16 14:20:14 GMT 2023 , Edited by admin on Sat Dec 16 14:20:14 GMT 2023
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PRIMARY | |||
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91668186
Created by
admin on Sat Dec 16 14:20:14 GMT 2023 , Edited by admin on Sat Dec 16 14:20:14 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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METABOLITE ACTIVE -> PRODRUG |
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