| Properties | Image |
|---|
| MNX_ID | MNXM1121158 |
 |
| reference | chebi:158545 |
| formula | C12H23N3O5S |
| global charge | 0 |
| mol weight | 321.399 |
| InChIKey | ISCYZXFOCXWUJU-KZVJFYERSA-N |
| InChI | InChI=1S/C12H23N3O5S/c1-6(13)10(17)15-9(7(2)16)11(18)14-8(12(19)20)4-5-21-3/h6-9,16H,4-5,13H2,1-3H3,(H,14,18)(H,15,17)(H,19,20)/t6-,7+,8-,9-/m0/s1 |
| SMILES | CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C12H23N3O5S/c1-6(13)10(17)15-9(7(2)16)11(18)14-8(12(19)20)4-5-21-3/h6-9,16H,4-5,13H2,1-3H3,(H,14,18)(H,15,17)(H,19,20)/t6-,7+,8-,9-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C@@H:6]([C:10](=[N:15][C@@H:9]([C@@H:7]([CH3:2])[OH:16])[C:11](=[N:14][C@@H:8]([CH2:4][CH2:5][S:21][CH3:3])[C:12](=[O:19])[OH:20])[OH:18])[OH:17])[NH2:13] |
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