| Properties | Image |
|---|
| MNX_ID | MNXM167410 |
 |
| reference | sabiorkM:25064 |
| formula | C16H15N7O5S4 |
| global charge | 0 |
| mol weight | 513.608 |
| InChIKey | MLLOBKWZTXROPZ-WUMONGPASA-N |
| InChI | InChI=1S/C16H15N7O5S4/c17-16-20-7(4-31-16)9(18-5-24)12(25)21-10-13(26)23-11(15(27)28)6(3-30-14(10)23)2-29-8-1-19-22-32-8/h1,4-5,9-10,14H,2-3H2,(H2,17,20)(H,18,24)(H,21,25)(H,27,28)/t9?,10-,14-/m1/s1 |
| SMILES | N=C1NC(C(N=CO)C(O)=N[C@@H]2C(=O)N3C(C(=O)O)=C(CSC4=CN=NS4)CS[C@H]23)=CS1 |
MNX internals
| InChI (mnx) | InChI=1/C16H15N7O5S4/c17-16-20-7(4-31-16)9(18-5-24)12(25)21-10-13(26)23-11(15(27)28)6(3-30-14(10)23)2-29-8-1-19-22-32-8/h1,4-5,9-10,14H,2-3H2,(H2,17,20)(H,18,24)(H,21,25)(H,27,28)/t9?,10-,14-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[C:8]([S:29][CH2:2][C:6]2=[C:11]([C:15](=[O:27])[OH:28])[N:23]3[C:13](=[O:26])[C@@H:10]([N:21]=[C:12]([CH:9]([C:7]4=[CH:4][S:31][C:16](=[NH:17])[NH:20]4)[N:18]=[CH:5][OH:24])[OH:25])[C@H:14]3[S:30][CH2:3]2)[S:32][N:22]=[N:19]1 |
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