Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C82H119N21O34S3.C2HF3O2 |
| Molecular Weight | 2153.161 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 19 / 19 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)C(F)(F)F.[H][C@](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@@]([H])(NC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@@]([H])(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@]([H])(NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)([C@@H](C)O)C(O)=O
InChI
InChIKey=PNJSAKBBGRRTHL-RBUYSXEJSA-N
InChI=1S/C82H119N21O34S3.C2HF3O2/c1-35(104)64(100-69(123)48(17-20-58(84)112)90-73(127)52(93-68(122)46(83)16-21-60(114)115)25-43-28-86-47-11-9-8-10-45(43)47)79(133)96-54(27-63(120)121)75(129)95-53(26-59(85)113)74(128)97-55(29-138-32-87-39(5)108)76(130)92-49(18-22-61(116)117)70(124)101-65(36(2)105)80(134)99-57(31-140-34-89-41(7)110)78(132)102-66(37(3)106)81(135)98-56(30-139-33-88-40(6)109)77(131)94-51(24-42-12-14-44(111)15-13-42)72(126)91-50(19-23-62(118)119)71(125)103-67(38(4)107)82(136)137;3-2(4,5)1(6)7/h8-15,28,35-38,46,48-57,64-67,86,104-107,111H,16-27,29-34,83H2,1-7H3,(H2,84,112)(H2,85,113)(H,87,108)(H,88,109)(H,89,110)(H,90,127)(H,91,126)(H,92,130)(H,93,122)(H,94,131)(H,95,129)(H,96,133)(H,97,128)(H,98,135)(H,99,134)(H,100,123)(H,101,124)(H,102,132)(H,103,125)(H,114,115)(H,116,117)(H,118,119)(H,120,121)(H,136,137);(H,6,7)/t35-,36-,37-,38-,46+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,64+,65+,66+,67+;/m1./s1
Approval Year
| Name | Type | Language | ||
|---|---|---|---|---|
|
Official Name | English | ||
|
Common Name | English | ||
|
Common Name | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
|
NCI_THESAURUS |
C274
Created by
admin on Fri Dec 15 15:28:37 UTC 2023 , Edited by admin on Fri Dec 15 15:28:37 UTC 2023
|
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
848084-84-4
Created by
admin on Fri Dec 15 15:28:37 UTC 2023 , Edited by admin on Fri Dec 15 15:28:37 UTC 2023
|
PRIMARY | |||
|
16155603
Created by
admin on Fri Dec 15 15:28:37 UTC 2023 , Edited by admin on Fri Dec 15 15:28:37 UTC 2023
|
PRIMARY | |||
|
C506581
Created by
admin on Fri Dec 15 15:28:37 UTC 2023 , Edited by admin on Fri Dec 15 15:28:37 UTC 2023
|
PRIMARY | |||
|
C152618
Created by
admin on Fri Dec 15 15:28:37 UTC 2023 , Edited by admin on Fri Dec 15 15:28:37 UTC 2023
|
PRIMARY | |||
|
6227JFW01C
Created by
admin on Fri Dec 15 15:28:37 UTC 2023 , Edited by admin on Fri Dec 15 15:28:37 UTC 2023
|
PRIMARY | |||
|
CHEMBL3040192
Created by
admin on Fri Dec 15 15:28:37 UTC 2023 , Edited by admin on Fri Dec 15 15:28:37 UTC 2023
|
PRIMARY | |||
|
RR-20
Created by
admin on Fri Dec 15 15:28:37 UTC 2023 , Edited by admin on Fri Dec 15 15:28:37 UTC 2023
|
PRIMARY |
ACTIVE MOIETY
PARENT (SALT/SOLVATE)
SUBSTANCE RECORD