Details
| Stereochemistry | EPIMERIC |
| Molecular Formula | C30H39N7O9S.ClH |
| Molecular Weight | 710.198 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 5 |
| E/Z Centers | 0 |
| Charge | 0 |
| Stereo Comments | Assumed epimeric |
SHOW SMILES / InChI
SMILES
Cl.C[S+]([O-])CC[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)NCC(=O)N[C@@H](CC2=CC=C(C=C2)[N+]([O-])=O)C(=O)N3CCC[C@H]3C(N)=O
InChI
InChIKey=WDZLHGQLMLRIIZ-PRQKMLKRSA-N
InChI=1S/C30H39N7O9S.ClH/c1-47(46)14-12-23(35-28(41)22(31)15-18-6-10-21(38)11-7-18)29(42)33-17-26(39)34-24(16-19-4-8-20(9-5-19)37(44)45)30(43)36-13-2-3-25(36)27(32)40;/h4-11,22-25,38H,2-3,12-17,31H2,1H3,(H2,32,40)(H,33,42)(H,34,39)(H,35,41);1H/t22-,23+,24-,25-,47?;/m0./s1
| Molecular Formula | C30H39N7O9S |
| Molecular Weight | 673.737 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | ClH |
| Molecular Weight | 36.461 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:37:46 UTC 2023
by
admin
on
Fri Dec 15 15:37:46 UTC 2023
|
| Record UNII |
KN6Y6X42M6
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Code | English | ||
|
Systematic Name | English | ||
|
Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
DTXSID60912852
Created by
admin on Fri Dec 15 15:37:46 UTC 2023 , Edited by admin on Fri Dec 15 15:37:46 UTC 2023
|
PRIMARY | |||
|
99146-53-9
Created by
admin on Fri Dec 15 15:37:46 UTC 2023 , Edited by admin on Fri Dec 15 15:37:46 UTC 2023
|
PRIMARY | |||
|
6917995
Created by
admin on Fri Dec 15 15:37:46 UTC 2023 , Edited by admin on Fri Dec 15 15:37:46 UTC 2023
|
PRIMARY | |||
|
KN6Y6X42M6
Created by
admin on Fri Dec 15 15:37:46 UTC 2023 , Edited by admin on Fri Dec 15 15:37:46 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ACTIVE MOIETY |