Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C45H57N9O10S2.C2H4O2 |
| Molecular Weight | 1008.17 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 8 / 8 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(O)=O.C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=C(O)C=C3)C(=O)N[C@H](CC4=CNC5=CC=CC=C45)C(=O)N[C@@H](CCCCN)C(=O)N1)C(O)=O
InChI
InChIKey=PWBXCNIHODARII-YWCUHKGISA-N
InChI=1S/C45H57N9O10S2.C2H4O2/c1-25(55)38(45(63)64)54-44(62)37-24-66-65-23-36(52-39(57)31(47)19-26-9-3-2-4-10-26)43(61)50-34(20-27-14-16-29(56)17-15-27)41(59)51-35(21-28-22-48-32-12-6-5-11-30(28)32)42(60)49-33(40(58)53-37)13-7-8-18-46;1-2(3)4/h2-6,9-12,14-17,22,25,31,33-38,48,55-56H,7-8,13,18-21,23-24,46-47H2,1H3,(H,49,60)(H,50,61)(H,51,59)(H,52,57)(H,53,58)(H,54,62)(H,63,64);1H3,(H,3,4)/t25-,31-,33+,34+,35-,36+,37+,38+;/m1./s1
| Molecular Formula | C2H4O2 |
| Molecular Weight | 60.052 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C45H57N9O10S2 |
| Molecular Weight | 948.118 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 8 / 8 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 13:27:02 GMT 2023
by
admin
on
Sat Dec 16 13:27:02 GMT 2023
|
| Record UNII |
QRJ8C05E9C
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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QRJ8C05E9C
Created by
admin on Sat Dec 16 13:27:02 GMT 2023 , Edited by admin on Sat Dec 16 13:27:02 GMT 2023
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124220632
Created by
admin on Sat Dec 16 13:27:02 GMT 2023 , Edited by admin on Sat Dec 16 13:27:02 GMT 2023
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PRIMARY |