| Properties | Image |
| MNX_ID | MNXM1126243 |
 |
| reference | chebi:163657 |
| formula | C13H26N6O5S |
| global charge | 0 |
| mol weight | 378.455 |
| InChIKey | JMQUAZXYFAEOIH-XGEHTFHBSA-N |
| InChI | InChI=1S/C13H26N6O5S/c1-6(20)9(14)11(22)18-7(3-2-4-17-13(15)16)10(21)19-8(5-25)12(23)24/h6-9,20,25H,2-5,14H2,1H3,(H,18,22)(H,19,21)(H,23,24)(H4,15,16,17)/t6-,7+,8+,9+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C13H26N6O5S/c1-6(20)9(14)11(22)18-7(3-2-4-17-13(15)16)10(21)19-8(5-25)12(23)24/h6-9,20,25H,2-5,14H2,1H3,(H,18,22)(H,19,21)(H,23,24)(H4,15,16,17)/t6-,7+,8+,9+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:6]([C@@H:9]([C:11](=[N:18][C@@H:7]([CH2:3][CH2:2][CH2:4][NH:17][C:13](=[NH:15])[NH2:16])[C:10](=[N:19][C@@H:8]([CH2:5][SH:25])[C:12](=[O:23])[OH:24])[OH:21])[OH:22])[NH2:14])[OH:20] |
|