| Properties | Image |
| MNX_ID | MNXM1126834 |
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| reference | chebi:164251 |
| formula | C11H21N3O6S |
| global charge | 0 |
| mol weight | 323.371 |
| InChIKey | TZQWJCGVCIJDMU-HEIBUPTGSA-N |
| InChI | InChI=1S/C11H21N3O6S/c1-4(15)7(12)9(17)14-8(5(2)16)10(18)13-6(3-21)11(19)20/h4-8,15-16,21H,3,12H2,1-2H3,(H,13,18)(H,14,17)(H,19,20)/t4-,5-,6+,7+,8+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O |
MNX internals
| InChI (mnx) | InChI=1/C11H21N3O6S/c1-4(15)7(12)9(17)14-8(5(2)16)10(18)13-6(3-21)11(19)20/h4-8,15-16,21H,3,12H2,1-2H3,(H,13,18)(H,14,17)(H,19,20)/t4-,5-,6+,7+,8+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@H:4]([C@@H:7]([C:9](=[N:14][C@@H:8]([C@@H:5]([CH3:2])[OH:16])[C:10](=[N:13][C@@H:6]([CH2:3][SH:21])[C:11](=[O:19])[OH:20])[OH:18])[OH:17])[NH2:12])[OH:15] |
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