Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C82H114N20O17S |
Molecular Weight | 1683.971 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 12 / 12 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CNC4=C3C=CC=C4)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H](N)CC6=CNC7=C6C=CC=C7)C(=O)N[C@@H](CC8=CC=C(O)C=C8)C(O)=O
InChI
InChIKey=SBKVPJHMSUXZTA-MEJXFZFPSA-N
InChI=1S/C82H114N20O17S/c1-45(2)34-61(98-76(112)63(38-49-41-89-56-17-9-7-15-53(49)56)99-77(113)64(39-50-42-87-44-91-50)96-71(107)54(84)37-48-40-88-55-16-8-6-14-52(48)55)74(110)93-57(25-27-68(85)104)72(108)97-62(35-46(3)4)75(111)95-59(18-10-11-30-83)80(116)101-31-12-19-66(101)78(114)90-43-70(106)92-60(26-28-69(86)105)81(117)102-32-13-20-67(102)79(115)94-58(29-33-120-5)73(109)100-65(82(118)119)36-47-21-23-51(103)24-22-47/h6-9,14-17,21-24,40-42,44-46,54,57-67,88-89,103H,10-13,18-20,25-39,43,83-84H2,1-5H3,(H2,85,104)(H2,86,105)(H,87,91)(H,90,114)(H,92,106)(H,93,110)(H,94,115)(H,95,111)(H,96,107)(H,97,108)(H,98,112)(H,99,113)(H,100,109)(H,118,119)/t54-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-/m0/s1
Molecular Formula | C82H114N20O17S |
Molecular Weight | 1683.971 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 12 / 12 |
E/Z Centers | 4 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:24:14 GMT 2023
by
admin
on
Sat Dec 16 08:24:14 GMT 2023
|
Record UNII |
JS24YA3IGQ
|
Record Status |
Validated (UNII)
|
Record Version |
|
-
Download
Name | Type | Language | ||
---|---|---|---|---|
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English |
Code System | Code | Type | Description | ||
---|---|---|---|---|---|
|
59401-28-4
Created by
admin on Sat Dec 16 08:24:14 GMT 2023 , Edited by admin on Sat Dec 16 08:24:14 GMT 2023
|
PRIMARY | |||
|
DTXSID8044040
Created by
admin on Sat Dec 16 08:24:14 GMT 2023 , Edited by admin on Sat Dec 16 08:24:14 GMT 2023
|
PRIMARY | |||
|
16142893
Created by
admin on Sat Dec 16 08:24:14 GMT 2023 , Edited by admin on Sat Dec 16 08:24:14 GMT 2023
|
PRIMARY | |||
|
JS24YA3IGQ
Created by
admin on Sat Dec 16 08:24:14 GMT 2023 , Edited by admin on Sat Dec 16 08:24:14 GMT 2023
|
PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
|
ACTIVE MOIETY |