| Properties | Image |
|---|
| MNX_ID | MNXM1121715 |
 |
| reference | chebi:159104 |
| formula | C13H25N3O5S |
| global charge | 0 |
| mol weight | 335.426 |
| InChIKey | FOEHRHOBWFQSNW-KATARQTJSA-N |
| InChI | InChI=1S/C13H25N3O5S/c1-6(2)4-8(14)11(18)15-9(5-22)12(19)16-10(7(3)17)13(20)21/h6-10,17,22H,4-5,14H2,1-3H3,(H,15,18)(H,16,19)(H,20,21)/t7-,8+,9+,10+/m1/s1 |
| SMILES | CC(C)C[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)O)[C@@H](C)O |
MNX internals
| InChI (mnx) | InChI=1/C13H25N3O5S/c1-6(2)4-8(14)11(18)15-9(5-22)12(19)16-10(7(3)17)13(20)21/h6-10,17,22H,4-5,14H2,1-3H3,(H,15,18)(H,16,19)(H,20,21)/t7-,8+,9+,10+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:6]([CH3:2])[CH2:4][C@@H:8]([C:11](=[N:15][C@@H:9]([CH2:5][SH:22])[C:12](=[N:16][C@@H:10]([C@@H:7]([CH3:3])[OH:17])[C:13](=[O:20])[OH:21])[OH:19])[OH:18])[NH2:14] |
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