| Properties | Image |
|---|
| MNX_ID | MNXM1123334 |
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| reference | chebi:160735 |
| formula | C12H22N4O5S |
| global charge | 0 |
| mol weight | 334.398 |
| InChIKey | GVIVXNFKJQFTCE-YUMQZZPRSA-N |
| InChI | InChI=1S/C12H22N4O5S/c1-22-5-4-7(13)11(19)15-6-10(18)16-8(12(20)21)2-3-9(14)17/h7-8H,2-6,13H2,1H3,(H2,14,17)(H,15,19)(H,16,18)(H,20,21)/t7-,8-/m0/s1 |
| SMILES | CSCC[C@H](N)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C12H22N4O5S/c1-22-5-4-7(13)11(19)15-6-10(18)16-8(12(20)21)2-3-9(14)17/h7-8H,2-6,13H2,1H3,(H2,14,17)(H,15,19)(H,16,18)(H,20,21)/t7-,8-/m0/s1 |
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| SMILES (mnx) | [CH3:1][S:22][CH2:5][CH2:4][C@@H:7]([C:11](=[N:15][CH2:6][C:10](=[N:16][C@@H:8]([CH2:2][CH2:3][C:9](=[NH:14])[OH:17])[C:12](=[O:20])[OH:21])[OH:18])[OH:19])[NH2:13] |
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