| Properties | Image |
|---|
| MNX_ID | MNXM1121711 |
 |
| reference | chebi:159100 |
| formula | C14H25N3O4S |
| global charge | 0 |
| mol weight | 331.438 |
| InChIKey | HUEBCHPSXSQUGN-GARJFASQSA-N |
| InChI | InChI=1S/C14H25N3O4S/c1-8(2)6-9(15)12(18)16-10(7-22)13(19)17-5-3-4-11(17)14(20)21/h8-11,22H,3-7,15H2,1-2H3,(H,16,18)(H,20,21)/t9-,10-,11+/m0/s1 |
| SMILES | CC(C)C[C@H](N)C(=O)N[C@@H](CS)C(=O)N1CCC[C@@H]1C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C14H25N3O4S/c1-8(2)6-9(15)12(18)16-10(7-22)13(19)17-5-3-4-11(17)14(20)21/h8-11,22H,3-7,15H2,1-2H3,(H,16,18)(H,20,21)/t9-,10-,11+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:8]([CH3:2])[CH2:6][C@@H:9]([C:12](=[N:16][C@@H:10]([CH2:7][SH:22])[C:13]([N:17]1[CH2:5][CH2:3][CH2:4][C@@H:11]1[C:14](=[O:20])[OH:21])=[O:19])[OH:18])[NH2:15] |
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