| Properties | Image |
|---|
| MNX_ID | MNXM103228 |
 |
| reference | chebi:65508 |
| formula | C25H36N6O6S |
| global charge | 0 |
| mol weight | 548.666 |
| InChIKey | LDXCESZYUWPDOR-RUZYHRDJSA-N |
| InChI | InChI=1S/C25H36N6O6S/c1-10(2)16-22(35)31-19(13(7)32)23(36)29-17(11(3)4)24-26-14(8-37-24)20(33)30-18(12(5)6)25-27-15(9-38-25)21(34)28-16/h8-13,16-19,32H,1-7H3,(H,28,34)(H,29,36)(H,30,33)(H,31,35)/t13-,16+,17+,18+,19+/m1/s1 |
| SMILES | CC(C)[C@@H]1NC(=O)C2=CSC(=N2)[C@H](C(C)C)NC(=O)C2=COC(=N2)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC1=O |
MNX internals
| InChI (mnx) | InChI=1/C25H36N6O6S/c1-10(2)16-22(35)31-19(13(7)32)23(36)29-17(11(3)4)24-26-14(8-37-24)20(33)30-18(12(5)6)25-27-15(9-38-25)21(34)28-16/h8-13,16-19,32H,1-7H3,(H,28,34)(H,29,36)(H,30,33)(H,31,35)/t13-,16+,17+,18+,19+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:10]([CH3:2])[C@H:16]1[C:22]([OH:35])=[N:31][C@@H:19]([C@@H:13]([CH3:7])[OH:32])[C:23]([OH:36])=[N:29][C@@H:17]([CH:11]([CH3:3])[CH3:4])[C:24]2=[N:26][C:14](=[CH:8][O:37]2)[C:20]([OH:33])=[N:30][C@@H:18]([CH:12]([CH3:5])[CH3:6])[C:25]2=[N:27][C:15](=[CH:9][S:38]2)[C:21]([OH:34])=[N:28]1 |
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