| Properties | Image |
| MNX_ID | MNXM1123234 |
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| reference | chebi:160634 |
| formula | C13H23N3O4S2 |
| global charge | 0 |
| mol weight | 349.478 |
| InChIKey | WVTYEEPGEUSFGQ-LPEHRKFASA-N |
| InChI | InChI=1S/C13H23N3O4S2/c1-22-6-4-8(14)11(17)15-9(7-21)12(18)16-5-2-3-10(16)13(19)20/h8-10,21H,2-7,14H2,1H3,(H,15,17)(H,19,20)/t8-,9-,10+/m0/s1 |
| SMILES | CSCC[C@H](N)C(=O)N[C@@H](CS)C(=O)N1CCC[C@@H]1C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C13H23N3O4S2/c1-22-6-4-8(14)11(17)15-9(7-21)12(18)16-5-2-3-10(16)13(19)20/h8-10,21H,2-7,14H2,1H3,(H,15,17)(H,19,20)/t8-,9-,10+/m0/s1 |
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| SMILES (mnx) | [CH3:1][S:22][CH2:6][CH2:4][C@@H:8]([C:11](=[N:15][C@@H:9]([CH2:7][SH:21])[C:12]([N:16]1[CH2:5][CH2:2][CH2:3][C@@H:10]1[C:13](=[O:19])[OH:20])=[O:18])[OH:17])[NH2:14] |
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