| Properties | Image |
| MNX_ID | MNXM172644 |
 |
| reference | chebi:122535 |
| formula | C22H36N4O6S |
| global charge | 0 |
| mol weight | 484.619 |
| InChIKey | FSCFODAWIHEFCQ-FTRWYGJKSA-N |
| InChI | InChI=1S/C22H36N4O6S/c1-7-10-23-22(28)26-12-15(2)20(31-5)13-25(4)21(27)18-11-17(24-33(6,29)30)8-9-19(18)32-14-16(26)3/h8-9,11,15-16,20,24H,7,10,12-14H2,1-6H3,(H,23,28)/t15-,16-,20-/m0/s1 |
| SMILES | CCCNC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)C2=C(C=CC(NS(C)(=O)=O)=C2)OC[C@@H]1C |
MNX internals
| InChI (mnx) | InChI=1/C22H36N4O6S/c1-7-10-23-22(28)26-12-15(2)20(31-5)13-25(4)21(27)18-11-17(24-33(6,29)30)8-9-19(18)32-14-16(26)3/h8-9,11,15-16,20,24H,7,10,12-14H2,1-6H3,(H,23,28)/t15-,16-,20-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:7][CH2:10][N:23]=[C:22]([N:26]1[CH2:12][C@H:15]([CH3:2])[C@@H:20]([O:31][CH3:5])[CH2:13][N:25]([CH3:4])[C:21](=[O:27])[C:18]2=[C:19]([CH:9]=[CH:8][C:17]([NH:24][S:33]([CH3:6])(=[O:29])=[O:30])=[CH:11]2)[O:32][CH2:14][C@@H:16]1[CH3:3])[OH:28] |
|