| Properties | Image |
| MNX_ID | MNXM1123188 |
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| reference | chebi:160588 |
| formula | C15H28N4O6S |
| global charge | 0 |
| mol weight | 392.478 |
| InChIKey | WGBMNLCRYKSWAR-DCAQKATOSA-N |
| InChI | InChI=1S/C15H28N4O6S/c1-26-7-5-9(17)13(22)19-11(8-12(20)21)14(23)18-10(15(24)25)4-2-3-6-16/h9-11H,2-8,16-17H2,1H3,(H,18,23)(H,19,22)(H,20,21)(H,24,25)/t9-,10-,11-/m0/s1 |
| SMILES | CSCC[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H28N4O6S/c1-26-7-5-9(17)13(22)19-11(8-12(20)21)14(23)18-10(15(24)25)4-2-3-6-16/h9-11H,2-8,16-17H2,1H3,(H,18,23)(H,19,22)(H,20,21)(H,24,25)/t9-,10-,11-/m0/s1 |
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| SMILES (mnx) | [CH3:1][S:26][CH2:7][CH2:5][C@@H:9]([C:13](=[N:19][C@@H:11]([CH2:8][C:12](=[O:20])[OH:21])[C:14](=[N:18][C@@H:10]([CH2:4][CH2:2][CH2:3][CH2:6][NH2:16])[C:15](=[O:24])[OH:25])[OH:23])[OH:22])[NH2:17] |
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