| Stereochemistry | ABSOLUTE |
| Molecular Formula | C56H70N9O22S.Na |
| Molecular Weight | 1276.257 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 14 / 14 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].CCCCCOC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)C(=O)N[C@H]4CC[C@@H](O)NC(=O)[C@@H]5[C@@H](O)[C@@H](C)CN5C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]6C[C@@H](O)CN6C(=O)[C@@H](NC4=O)[C@@H](C)O)[C@H](O)[C@@H](O)C7=CC=C(O)C(OS([O-])(=O)=O)=C7)[C@H](O)CC(N)=O
InChI
InChIKey=UDPAVGDQXRJUNH-GYTNLMEASA-M
InChI=1S/C56H71N9O22S.Na/c1-4-5-6-19-85-33-14-11-29(12-15-33)39-22-35(63-86-39)28-7-9-30(10-8-28)50(75)58-34-16-18-42(71)59-54(79)46-47(72)26(2)24-65(46)56(81)44(38(69)23-41(57)70)61-53(78)45(49(74)48(73)31-13-17-37(68)40(20-31)87-88(82,83)84)62-52(77)36-21-32(67)25-64(36)55(80)43(27(3)66)60-51(34)76;/h7-15,17,20,22,26-27,32,34,36,38,42-49,66-69,71-74H,4-6,16,18-19,21,23-25H2,1-3H3,(H2,57,70)(H,58,75)(H,59,79)(H,60,76)(H,61,78)(H,62,77)(H,82,83,84);/q;+1/p-1/t26-,27+,32+,34-,36-,38+,42+,43-,44-,45-,46-,47-,48-,49-;/m0./s1
| Molecular Formula | C56H70N9O22S |
| Molecular Weight | 1253.267 |
| Charge | -1 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 14 / 14 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | Na |
| Molecular Weight | 22.98976928 |
| Charge | 1 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
|
|
PARENT -> SALT/SOLVATE |
|
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