| Properties | Image |
| MNX_ID | MNXM172612 |
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| reference | chebi:104349 |
| formula | C22H36N4O6S |
| global charge | 0 |
| mol weight | 484.619 |
| InChIKey | VUTYSYZKXJFCMD-GUXCAODWSA-N |
| InChI | InChI=1S/C22H36N4O6S/c1-14(2)23-22(28)26-11-15(3)20(31-6)12-25(5)21(27)18-10-17(24-33(7,29)30)8-9-19(18)32-13-16(26)4/h8-10,14-16,20,24H,11-13H2,1-7H3,(H,23,28)/t15-,16+,20+/m1/s1 |
| SMILES | CO[C@H]1CN(C)C(=O)C2=C(C=CC(NS(C)(=O)=O)=C2)OC[C@H](C)N(C(=O)NC(C)C)C[C@H]1C |
MNX internals
| InChI (mnx) | InChI=1/C22H36N4O6S/c1-14(2)23-22(28)26-11-15(3)20(31-6)12-25(5)21(27)18-10-17(24-33(7,29)30)8-9-19(18)32-13-16(26)4/h8-10,14-16,20,24H,11-13H2,1-7H3,(H,23,28)/t15-,16+,20+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH:14]([CH3:2])[N:23]=[C:22]([N:26]1[CH2:11][C@@H:15]([CH3:3])[C@@H:20]([O:31][CH3:6])[CH2:12][N:25]([CH3:5])[C:21](=[O:27])[C:18]2=[C:19]([CH:9]=[CH:8][C:17]([NH:24][S:33]([CH3:7])(=[O:29])=[O:30])=[CH:10]2)[O:32][CH2:13][C@@H:16]1[CH3:4])[OH:28] |
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