| Properties | Image |
| MNX_ID | MNXM1123347 |
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| reference | chebi:160748 |
| formula | C13H26N4O4S |
| global charge | 0 |
| mol weight | 334.442 |
| InChIKey | JACAKCWAOHKQBV-UWVGGRQHSA-N |
| InChI | InChI=1S/C13H26N4O4S/c1-22-7-5-9(15)12(19)16-8-11(18)17-10(13(20)21)4-2-3-6-14/h9-10H,2-8,14-15H2,1H3,(H,16,19)(H,17,18)(H,20,21)/t9-,10-/m0/s1 |
| SMILES | CSCC[C@H](N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C13H26N4O4S/c1-22-7-5-9(15)12(19)16-8-11(18)17-10(13(20)21)4-2-3-6-14/h9-10H,2-8,14-15H2,1H3,(H,16,19)(H,17,18)(H,20,21)/t9-,10-/m0/s1 |
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| SMILES (mnx) | [CH3:1][S:22][CH2:7][CH2:5][C@@H:9]([C:12](=[N:16][CH2:8][C:11](=[N:17][C@@H:10]([CH2:4][CH2:2][CH2:3][CH2:6][NH2:14])[C:13](=[O:20])[OH:21])[OH:18])[OH:19])[NH2:15] |
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