| Stereochemistry | ABSOLUTE |
| Molecular Formula | C16H18N2O4S.C6H9N3O |
| Molecular Weight | 473.545 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=CC(C)=NC(N)=N1.[H][C@]23SC(C)(C)[C@@H](N2C(=O)[C@H]3NC(=O)CC4=CC=CC=C4)C(O)=O
InChI
InChIKey=KYFJUFQABSZRIS-LQDWTQKMSA-N
InChI=1S/C16H18N2O4S.C6H9N3O/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-4-3-5(10-2)9-6(7)8-4/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);3H,1-2H3,(H2,7,8,9)/t11-,12+,14-;/m1./s1
| Molecular Formula | C16H18N2O4S |
| Molecular Weight | 334.39 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C6H9N3O |
| Molecular Weight | 139.1552 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
