| Properties | Image |
|---|
| MNX_ID | MNXM50955 |
 |
| reference | chebi:63412 |
| formula | C17H21N2O6S* |
| global charge | 0 |
| mol weight | |
| InChIKey | |
| InChI | |
| SMILES | [*]C(=O)[C@@H](NC(=O)C1=C(OC)C=CC=C1OC)[C@@H]1N[C@@H](C(=O)O)C(C)(C)S1 |
MNX internals
| InChI (mnx) | InChI=1/C18H24N2O6S/c1-9(21)13(16-20-14(17(23)24)18(2,3)27-16)19-15(22)12-10(25-4)7-6-8-11(12)26-5/h6-8,13-14,16,20H,1-5H3,(H,19,22)(H,23,24)/t13-,14+,16-/m1/s1/i1+1 |
 |
| SMILES (mnx) | [13CH3:1][C:9]([C@H:13]([C@@H:16]1[NH:20][C@@H:14]([C:17](=[O:23])[OH:24])[C:18]([CH3:2])([CH3:3])[S:27]1)[N:19]=[C:15]([C:12]1=[C:10]([O:25][CH3:4])[CH:7]=[CH:6][CH:8]=[C:11]1[O:26][CH3:5])[OH:22])=[O:21] |
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