| Properties | Image |
|---|
| MNX_ID | MNXM731415 |
 |
| reference | sabiorkM:26975 |
| formula | C26H47NO4S |
| global charge | 0 |
| mol weight | 469.732 |
| InChIKey | GHNPOYKEMBKUJA-MPCGXDHWSA-N |
| InChI | InChI=1S/C26H47NO4S/c1-18(5-4-14-27-15-16-32(29,30)31)22-8-9-23-21-7-6-19-17-20(28)10-12-25(19,2)24(21)11-13-26(22,23)3/h18-24,27-28H,4-17H2,1-3H3,(H,29,30,31)/t18-,19-,20-,21+,22-,23+,24+,25+,26-/m1/s1 |
| SMILES | C[C@H](CCCNCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C26H47NO4S/c1-18(5-4-14-27-15-16-32(29,30)31)22-8-9-23-21-7-6-19-17-20(28)10-12-25(19,2)24(21)11-13-26(22,23)3/h18-24,27-28H,4-17H2,1-3H3,(H,29,30,31)/t18-,19-,20-,21+,22-,23+,24+,25+,26-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:18]([CH2:5][CH2:4][CH2:14][NH:27][CH2:15][CH2:16][S:32]([OH:29])(=[O:30])=[O:31])[C@H:22]1[CH2:8][CH2:9][C@H:23]2[C@@H:21]3[CH2:7][CH2:6][C@@H:19]4[CH2:17][C@H:20]([OH:28])[CH2:10][CH2:12][C@:25]4([CH3:2])[C@H:24]3[CH2:11][CH2:13][C@:26]12[CH3:3] |
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