| Properties | Image |
| MNX_ID | MNXM1121984 |
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| reference | chebi:159373 |
| formula | C15H27N3O6S |
| global charge | 0 |
| mol weight | 377.463 |
| InChIKey | WXZOHBVPVKABQN-DCAQKATOSA-N |
| InChI | InChI=1S/C15H27N3O6S/c1-8(2)6-9(16)13(21)17-10(4-5-25-3)14(22)18-11(15(23)24)7-12(19)20/h8-11H,4-7,16H2,1-3H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)/t9-,10-,11-/m0/s1 |
| SMILES | CSCC[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H27N3O6S/c1-8(2)6-9(16)13(21)17-10(4-5-25-3)14(22)18-11(15(23)24)7-12(19)20/h8-11H,4-7,16H2,1-3H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)/t9-,10-,11-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:8]([CH3:2])[CH2:6][C@@H:9]([C:13](=[N:17][C@@H:10]([CH2:4][CH2:5][S:25][CH3:3])[C:14](=[N:18][C@@H:11]([CH2:7][C:12](=[O:19])[OH:20])[C:15](=[O:23])[OH:24])[OH:22])[OH:21])[NH2:16] |
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