| Properties | Image |
| MNX_ID | MNXM1121262 |
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| reference | chebi:158649 |
| formula | C11H21N3O4S |
| global charge | 0 |
| mol weight | 291.373 |
| InChIKey | BOKLLPVAQDSLHC-FXQIFTODSA-N |
| InChI | InChI=1S/C11H21N3O4S/c1-5(2)8(14-9(15)6(3)12)10(16)13-7(4-19)11(17)18/h5-8,19H,4,12H2,1-3H3,(H,13,16)(H,14,15)(H,17,18)/t6-,7-,8-/m0/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C11H21N3O4S/c1-5(2)8(14-9(15)6(3)12)10(16)13-7(4-19)11(17)18/h5-8,19H,4,12H2,1-3H3,(H,13,16)(H,14,15)(H,17,18)/t6-,7-,8-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:5]([CH3:2])[C@@H:8]([C:10](=[N:13][C@@H:7]([CH2:4][SH:19])[C:11](=[O:17])[OH:18])[OH:16])[N:14]=[C:9]([C@H:6]([CH3:3])[NH2:12])[OH:15] |
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