| Properties | Image |
| MNX_ID | MNXM1126756 |
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| reference | chebi:164171 |
| formula | C12H23N3O4S |
| global charge | 0 |
| mol weight | 305.4 |
| InChIKey | MUGLKCQHTUFLGF-WPRPVWTQSA-N |
| InChI | InChI=1S/C12H23N3O4S/c1-7(2)10(15-9(16)6-13)11(17)14-8(12(18)19)4-5-20-3/h7-8,10H,4-6,13H2,1-3H3,(H,14,17)(H,15,16)(H,18,19)/t8-,10-/m0/s1 |
| SMILES | CSCC[C@H](NC(=O)[C@@H](NC(=O)CN)C(C)C)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C12H23N3O4S/c1-7(2)10(15-9(16)6-13)11(17)14-8(12(18)19)4-5-20-3/h7-8,10H,4-6,13H2,1-3H3,(H,14,17)(H,15,16)(H,18,19)/t8-,10-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:7]([CH3:2])[C@@H:10]([C:11](=[N:14][C@@H:8]([CH2:4][CH2:5][S:20][CH3:3])[C:12](=[O:18])[OH:19])[OH:17])[N:15]=[C:9]([CH2:6][NH2:13])[OH:16] |
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