| Properties | Image |
|---|
| MNX_ID | MNXM160803 |
 |
| reference | keggD:D05709 |
| formula | C22H33N3O4S |
| global charge | 0 |
| mol weight | 435.59 |
| InChIKey | RJWVPIGRUWQLIB-UHFFFAOYSA-N |
| InChI | InChI=1S/C15H25N3O.C7H8O3S/c1-11(2)16-9-6-10-17-15(19)18-14-12(3)7-5-8-13(14)4;1-6-2-4-7(5-3-6)11(8,9)10/h5,7-8,11,16H,6,9-10H2,1-4H3,(H2,17,18,19);2-5H,1H3,(H,8,9,10) |
| SMILES | CC1=CC=C(S(=O)(=O)O)C=C1.CC1=CC=CC(C)=C1NC(=O)NCCCNC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C15H25N3O.C7H8O3S/c1-11(2)16-9-6-10-17-15(19)18-14-12(3)7-5-8-13(14)4;1-6-2-4-7(5-3-6)11(8,9)10/h5,7-8,11,16H,6,9-10H2,1-4H3,(H2,17,18,19);2-5H,1H3,(H,8,9,10) |
 |
| SMILES (mnx) | [CH3:1][CH:11]([CH3:2])[NH:16][CH2:9][CH2:6][CH2:10][N:17]=[C:15]([NH:18][C:14]1=[C:12]([CH3:3])[CH:7]=[CH:5][CH:8]=[C:13]1[CH3:4])[OH:19].[CH3:20][C:25]1=[CH:22][CH:24]=[C:26]([S:30]([OH:27])(=[O:28])=[O:29])[CH:23]=[CH:21]1 |
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