| Properties | Image |
|---|
| MNX_ID | MNXM103227 |
 |
| reference | chebi:65507 |
| formula | C25H32N6O4S2 |
| global charge | 0 |
| mol weight | 544.703 |
| InChIKey | YGMRMAIELLDBHQ-BZSNNMDCSA-N |
| InChI | InChI=1S/C25H32N6O4S2/c1-10(2)16-23-31-19(13(7)35-23)22(34)30-18(12(5)6)25-27-15(9-37-25)21(33)29-17(11(3)4)24-26-14(8-36-24)20(32)28-16/h8-12,16-18H,1-7H3,(H,28,32)(H,29,33)(H,30,34)/t16-,17-,18-/m0/s1 |
| SMILES | CC1=C2N=C(O1)[C@H](C(C)C)NC(=O)C1=CSC(=N1)[C@H](C(C)C)NC(=O)C1=CSC(=N1)[C@H](C(C)C)NC2=O |
MNX internals
| InChI (mnx) | InChI=1/C25H32N6O4S2/c1-10(2)16-23-31-19(13(7)35-23)22(34)30-18(12(5)6)25-27-15(9-37-25)21(33)29-17(11(3)4)24-26-14(8-36-24)20(32)28-16/h8-12,16-18H,1-7H3,(H,28,32)(H,29,33)(H,30,34)/t16-,17-,18-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:10]([CH3:2])[C@H:16]1[C:23]2=[N:31][C:19](=[C:13]([CH3:7])[O:35]2)[C:22]([OH:34])=[N:30][C@@H:18]([CH:12]([CH3:5])[CH3:6])[C:25]2=[N:27][C:15](=[CH:9][S:37]2)[C:21]([OH:33])=[N:29][C@@H:17]([CH:11]([CH3:3])[CH3:4])[C:24]2=[N:26][C:14](=[CH:8][S:36]2)[C:20]([OH:32])=[N:28]1 |
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