| Properties | Image |
| MNX_ID | MNXM1123899 |
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| reference | chebi:161301 |
| formula | C11H19N3O6S |
| global charge | 0 |
| mol weight | 321.355 |
| InChIKey | YUZPQIQWXLRFBW-ACZMJKKPSA-N |
| InChI | InChI=1S/C11H19N3O6S/c1-5(11(19)20)13-10(18)7(2-3-8(15)16)14-9(17)6(12)4-21/h5-7,21H,2-4,12H2,1H3,(H,13,18)(H,14,17)(H,15,16)(H,19,20)/t5-,6-,7-/m0/s1 |
| SMILES | C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C11H19N3O6S/c1-5(11(19)20)13-10(18)7(2-3-8(15)16)14-9(17)6(12)4-21/h5-7,21H,2-4,12H2,1H3,(H,13,18)(H,14,17)(H,15,16)(H,19,20)/t5-,6-,7-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C@@H:5]([C:11](=[O:19])[OH:20])[N:13]=[C:10]([C@H:7]([CH2:2][CH2:3][C:8](=[O:15])[OH:16])[N:14]=[C:9]([C@H:6]([CH2:4][SH:21])[NH2:12])[OH:17])[OH:18] |
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