| Properties | Image |
| MNX_ID | MNXM1124294 |
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| reference | chebi:161698 |
| formula | C11H21N3O5S |
| global charge | 0 |
| mol weight | 307.372 |
| InChIKey | NDNZRWUDUMTITL-FXQIFTODSA-N |
| InChI | InChI=1S/C11H21N3O5S/c1-5(2)8(11(18)19)14-10(17)7(3-15)13-9(16)6(12)4-20/h5-8,15,20H,3-4,12H2,1-2H3,(H,13,16)(H,14,17)(H,18,19)/t6-,7-,8-/m0/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C11H21N3O5S/c1-5(2)8(11(18)19)14-10(17)7(3-15)13-9(16)6(12)4-20/h5-8,15,20H,3-4,12H2,1-2H3,(H,13,16)(H,14,17)(H,18,19)/t6-,7-,8-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:5]([CH3:2])[C@@H:8]([C:11](=[O:18])[OH:19])[N:14]=[C:10]([C@H:7]([CH2:3][OH:15])[N:13]=[C:9]([C@H:6]([CH2:4][SH:20])[NH2:12])[OH:16])[OH:17] |
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