| Properties | Image |
|---|
| MNX_ID | MNXM159221 |
 |
| reference | metacycM:CPD-16773 |
| formula | C18H27NO5S |
| global charge | 0 |
| mol weight | 369.483 |
| InChIKey | RHQCLRDGUKOCCB-ZVGGQZNJSA-N |
| InChI | InChI=1S/C18H27NO5S/c1-10-4-3-7-18(2)15(24-18)14-11(6-5-10)12(17(22)23-14)8-25-9-13(19)16(20)21/h4,11-15H,3,5-9,19H2,1-2H3,(H,20,21)/b10-4+/t11-,12?,13-,14-,15+,18+/m0/s1 |
| SMILES | C/C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(CSC[C@H]([NH3+])C(=O)[O-])[C@@H]2CC1 |
MNX internals
| InChI (mnx) | InChI=1/C18H27NO5S/c1-10-4-3-7-18(2)15(24-18)14-11(6-5-10)12(17(22)23-14)8-25-9-13(19)16(20)21/h4,11-15H,3,5-9,19H2,1-2H3,(H,20,21)/b10-4+/t11-,12?,13-,14-,15+,18+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1]/[C:10]1=[CH:4]\[CH2:3][CH2:7][C@:18]2([CH3:2])[C@@H:15]([C@@H:14]3[C@@H:11]([CH2:6][CH2:5]1)[CH:12]([CH2:8][S:25][CH2:9][C@@H:13]([C:16](=[O:20])[OH:21])[NH2:19])[C:17](=[O:22])[O:23]3)[O:24]2 |
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