Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C78H106N18O20S2 |
| Molecular Weight | 1679.915 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 15 / 15 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC6=CC=CC=C6)NC1=O)[C@@H](C)O)C(O)=O)NC(=O)CNC(=O)[C@H](C)NC(C)=O
InChI
InChIKey=UMKSPLVFRCJVTD-QRWDWOIOSA-N
InChI=1S/C78H106N18O20S2/c1-42(84-45(4)100)66(103)83-38-63(102)85-60-40-117-118-41-61(78(115)116)94-74(111)59(39-97)93-77(114)65(44(3)99)96-73(110)56(34-48-24-12-7-13-25-48)92-76(113)64(43(2)98)95-68(105)53(29-17-19-31-80)86-71(108)57(35-49-37-82-51-27-15-14-26-50(49)51)90-70(107)55(33-47-22-10-6-11-23-47)88-69(106)54(32-46-20-8-5-9-21-46)89-72(109)58(36-62(81)101)91-67(104)52(87-75(60)112)28-16-18-30-79/h5-15,20-27,37,42-44,52-61,64-65,82,97-99H,16-19,28-36,38-41,79-80H2,1-4H3,(H2,81,101)(H,83,103)(H,84,100)(H,85,102)(H,86,108)(H,87,112)(H,88,106)(H,89,109)(H,90,107)(H,91,104)(H,92,113)(H,93,114)(H,94,111)(H,95,105)(H,96,110)(H,115,116)/t42-,43+,44+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1
| Molecular Formula | C78H106N18O20S2 |
| Molecular Weight | 1679.915 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 15 / 15 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 17:22:14 GMT 2025
by
admin
on
Wed Apr 02 17:22:14 GMT 2025
|
| Record UNII |
GA3HTL9RTH
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Preferred Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
167713295
Created by
admin on Wed Apr 02 17:22:14 GMT 2025 , Edited by admin on Wed Apr 02 17:22:14 GMT 2025
|
PRIMARY | |||
|
GA3HTL9RTH
Created by
admin on Wed Apr 02 17:22:14 GMT 2025 , Edited by admin on Wed Apr 02 17:22:14 GMT 2025
|
PRIMARY | |||
|
66587-33-5
Created by
admin on Wed Apr 02 17:22:14 GMT 2025 , Edited by admin on Wed Apr 02 17:22:14 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> IMPURITY |
|