| Properties | Image |
| MNX_ID | MNXM1123312 |
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| reference | chebi:160713 |
| formula | C15H25N3O6S |
| global charge | 0 |
| mol weight | 375.447 |
| InChIKey | OGAZPKJHHZPYFK-GARJFASQSA-N |
| InChI | InChI=1S/C15H25N3O6S/c1-25-8-6-9(16)13(21)17-10(4-5-12(19)20)14(22)18-7-2-3-11(18)15(23)24/h9-11H,2-8,16H2,1H3,(H,17,21)(H,19,20)(H,23,24)/t9-,10-,11+/m0/s1 |
| SMILES | CSCC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@@H]1C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H25N3O6S/c1-25-8-6-9(16)13(21)17-10(4-5-12(19)20)14(22)18-7-2-3-11(18)15(23)24/h9-11H,2-8,16H2,1H3,(H,17,21)(H,19,20)(H,23,24)/t9-,10-,11+/m0/s1 |
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| SMILES (mnx) | [CH3:1][S:25][CH2:8][CH2:6][C@@H:9]([C:13](=[N:17][C@@H:10]([CH2:4][CH2:5][C:12](=[O:19])[OH:20])[C:14]([N:18]1[CH2:7][CH2:2][CH2:3][C@@H:11]1[C:15](=[O:23])[OH:24])=[O:22])[OH:21])[NH2:16] |
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