| Properties | Image |
| MNX_ID | MNXM1126933 |
 |
| reference | chebi:164350 |
| formula | C15H26N8O4S |
| global charge | 0 |
| mol weight | 414.492 |
| InChIKey | QQJMARNOLHSJCQ-DCAQKATOSA-N |
| InChI | InChI=1S/C15H26N8O4S/c16-9(4-8-5-19-7-21-8)12(24)23-11(6-28)13(25)22-10(14(26)27)2-1-3-20-15(17)18/h5,7,9-11,28H,1-4,6,16H2,(H,19,21)(H,22,25)(H,23,24)(H,26,27)(H4,17,18,20)/t9-,10-,11-/m0/s1 |
| SMILES | NC(N)=NCCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H26N8O4S/c16-9(4-8-5-19-7-21-8)12(24)23-11(6-28)13(25)22-10(14(26)27)2-1-3-20-15(17)18/h5,7,9-11,28H,1-4,6,16H2,(H,19,21)(H,22,25)(H,23,24)(H,26,27)(H4,17,18,20)/t9-,10-,11-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]([CH2:2][C@@H:10]([C:14](=[O:26])[OH:27])[N:22]=[C:13]([C@H:11]([CH2:6][SH:28])[N:23]=[C:12]([C@H:9]([CH2:4][C:8]1=[CH:5][N:19]=[CH:7][NH:21]1)[NH2:16])[OH:24])[OH:25])[CH2:3][NH:20][C:15](=[NH:17])[NH2:18] |
|