| Properties | Image |
|---|
| MNX_ID | MNXM1123641 |
 |
| reference | chebi:161043 |
| formula | C19H27N3O5S |
| global charge | 0 |
| mol weight | 409.508 |
| InChIKey | SBFPAAPFKZPDCZ-JYJNAYRXSA-N |
| InChI | InChI=1S/C19H27N3O5S/c1-28-10-8-14(20)18(25)22-9-2-3-16(22)17(24)21-15(19(26)27)11-12-4-6-13(23)7-5-12/h4-7,14-16,23H,2-3,8-11,20H2,1H3,(H,21,24)(H,26,27)/t14-,15-,16-/m0/s1 |
| SMILES | CSCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H27N3O5S/c1-28-10-8-14(20)18(25)22-9-2-3-16(22)17(24)21-15(19(26)27)11-12-4-6-13(23)7-5-12/h4-7,14-16,23H,2-3,8-11,20H2,1H3,(H,21,24)(H,26,27)/t14-,15-,16-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][S:28][CH2:10][CH2:8][C@@H:14]([C:18]([N:22]1[CH2:9][CH2:2][CH2:3][C@H:16]1[C:17](=[N:21][C@@H:15]([CH2:11][C:12]1=[CH:5][CH:7]=[C:13]([OH:23])[CH:6]=[CH:4]1)[C:19](=[O:26])[OH:27])[OH:24])=[O:25])[NH2:20] |
|