| Properties | Image |
|---|
| MNX_ID | MNXM1586323 |
 |
| reference | keggD:D00378 |
| formula | C26H50N8O7S2 |
| global charge | 0 |
| mol weight | 650.869 |
| InChIKey | TWBNMYSKRDRHAT-RCWTXCDDSA-N |
| InChI | InChI=1S/2C13H24N4O3S.H2O/c2*1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17;/h2*10,14,18H,4-9H2,1-3H3;1H2/t2*10-;/m00./s1 |
| SMILES | CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1.CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1.O |
MNX internals
| InChI (mnx) | InChI=1/2C13H24N4O3S.H2O/c2*1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17;/h2*10,14,18H,4-9H2,1-3H3;1H2/t2*10-;/m00./s1 |
 |
| SMILES (mnx) | [CH3:1][C:13]([CH3:2])([CH3:3])[NH:14][CH2:8][C@@H:10]([CH2:9][O:20][c:12]1[c:11]([N:17]2[CH2:4][CH2:6][O:19][CH2:7][CH2:5]2)[n:15][s:21][n:16]1)[OH:18].[CH3:22][C:34]([CH3:23])([CH3:24])[NH:35][CH2:29][C@@H:31]([CH2:30][O:41][c:33]1[c:32]([N:38]2[CH2:25][CH2:27][O:40][CH2:28][CH2:26]2)[n:36][s:42][n:37]1)[OH:39].[H][O:43][H] |
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