Stereochemistry | MIXED |
Molecular Formula | C39H59N10O15S.Ga |
Molecular Weight | 1009.732 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 0 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Ga+3].CC(C)(CNC(=O)CCC(N1CCN(CC([O-])=O)CCN(CC([O-])=O)CC1)C([O-])=O)COC(=O)NCCS(=O)(=O)NC(CNC(=O)C2=CC=C(OCCNC3=NCCCN3)C=C2)C(O)=O
InChI
InChIKey=MKAVMUIOMIFVBJ-UHFFFAOYSA-K
InChI=1S/C39H62N10O15S.Ga/c1-39(2,25-45-31(50)9-8-30(36(58)59)49-18-16-47(23-32(51)52)14-15-48(17-19-49)24-33(53)54)26-64-38(60)43-13-21-65(61,62)46-29(35(56)57)22-44-34(55)27-4-6-28(7-5-27)63-20-12-42-37-40-10-3-11-41-37;/h4-7,29-30,46H,3,8-26H2,1-2H3,(H,43,60)(H,44,55)(H,45,50)(H,51,52)(H,53,54)(H,56,57)(H,58,59)(H2,40,41,42);/q;+3/p-3
Molecular Formula | C39H59N10O15S |
Molecular Weight | 940.009 |
Charge | -3 |
Count |
MOL RATIO
1 MOL RATIO (average) |
Stereochemistry | MIXED |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | Ga |
Molecular Weight | 69.723 |
Charge | 3 |
Count |
MOL RATIO
1 MOL RATIO (average) |
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |