Details
| Stereochemistry | EPIMERIC |
| Molecular Formula | C62H77N9O16S |
| Molecular Weight | 1236.39 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 7 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=CC2=C(C=C1OCCCCCOC3=C(OC)C=C4C(=C3)N=C[C@@H]5CC(C)=CN5C4=O)N([C@@H](O)[C@@H]6CC(C)=CN6C2=O)C(=O)OCC7=CC=C(NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CCCCCN8C(=O)CC(SC[C@H](N)C(O)=O)C8=O)C(C)C)C=C7
InChI
InChIKey=INZZMEAMRIAAHA-GFMNWVLISA-N
InChI=1S/C62H77N9O16S/c1-34(2)54(67-52(72)14-10-8-11-19-68-53(73)28-51(60(68)79)88-33-43(63)61(80)81)56(75)65-37(5)55(74)66-39-17-15-38(16-18-39)32-87-62(82)71-45-27-50(48(84-7)25-42(45)58(77)70-31-36(4)23-46(70)59(71)78)86-21-13-9-12-20-85-49-26-44-41(24-47(49)83-6)57(76)69-30-35(3)22-40(69)29-64-44/h15-18,24-27,29-31,34,37,40,43,46,51,54,59,78H,8-14,19-23,28,32-33,63H2,1-7H3,(H,65,75)(H,66,74)(H,67,72)(H,80,81)/t37-,40-,43-,46-,51?,54-,59-/m0/s1
| Molecular Formula | C62H77N9O16S |
| Molecular Weight | 1236.39 |
| Charge | 0 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 6 / 7 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 23:29:50 GMT 2025
by
admin
on
Mon Mar 31 23:29:50 GMT 2025
|
| Record UNII |
22BH77PG3I
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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Common Name | English | ||
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Preferred Name | English |
| Code System | Code | Type | Description | ||
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22BH77PG3I
Created by
admin on Mon Mar 31 23:29:50 GMT 2025 , Edited by admin on Mon Mar 31 23:29:50 GMT 2025
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PRIMARY | |||
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165411898
Created by
admin on Mon Mar 31 23:29:50 GMT 2025 , Edited by admin on Mon Mar 31 23:29:50 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
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PARENT -> DERIVATIVE |
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