| Properties | Image |
| MNX_ID | MNXM1124059 |
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| reference | chebi:161461 |
| formula | C12H23N3O4S |
| global charge | 0 |
| mol weight | 305.4 |
| InChIKey | KXUKWRVYDYIPSQ-CIUDSAMLSA-N |
| InChI | InChI=1S/C12H23N3O4S/c1-6(2)4-9(15-10(16)8(13)5-20)11(17)14-7(3)12(18)19/h6-9,20H,4-5,13H2,1-3H3,(H,14,17)(H,15,16)(H,18,19)/t7-,8-,9-/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](C)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C12H23N3O4S/c1-6(2)4-9(15-10(16)8(13)5-20)11(17)14-7(3)12(18)19/h6-9,20H,4-5,13H2,1-3H3,(H,14,17)(H,15,16)(H,18,19)/t7-,8-,9-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:6]([CH3:2])[CH2:4][C@@H:9]([C:11](=[N:14][C@@H:7]([CH3:3])[C:12](=[O:18])[OH:19])[OH:17])[N:15]=[C:10]([C@H:8]([CH2:5][SH:20])[NH2:13])[OH:16] |
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