| Properties | Image |
|---|
| MNX_ID | MNXM1123287 |
 |
| reference | chebi:160688 |
| formula | C16H30N6O6S |
| global charge | 0 |
| mol weight | 434.519 |
| InChIKey | KQBJYJXPZBNEIK-DCAQKATOSA-N |
| InChI | InChI=1S/C16H30N6O6S/c1-29-8-6-9(17)13(25)21-10(4-5-12(23)24)14(26)22-11(15(27)28)3-2-7-20-16(18)19/h9-11H,2-8,17H2,1H3,(H,21,25)(H,22,26)(H,23,24)(H,27,28)(H4,18,19,20)/t9-,10-,11-/m0/s1 |
| SMILES | CSCC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H30N6O6S/c1-29-8-6-9(17)13(25)21-10(4-5-12(23)24)14(26)22-11(15(27)28)3-2-7-20-16(18)19/h9-11H,2-8,17H2,1H3,(H,21,25)(H,22,26)(H,23,24)(H,27,28)(H4,18,19,20)/t9-,10-,11-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][S:29][CH2:8][CH2:6][C@@H:9]([C:13](=[N:21][C@@H:10]([CH2:4][CH2:5][C:12](=[O:23])[OH:24])[C:14](=[N:22][C@@H:11]([CH2:3][CH2:2][CH2:7][NH:20][C:16](=[NH:18])[NH2:19])[C:15](=[O:27])[OH:28])[OH:26])[OH:25])[NH2:17] |
|