| Properties | Image |
| MNX_ID | MNXM1122867 |
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| reference | chebi:160264 |
| formula | C12H24N4O5S |
| global charge | 0 |
| mol weight | 336.414 |
| InChIKey | CTJUSALVKAWFFU-CIUDSAMLSA-N |
| InChI | InChI=1S/C12H24N4O5S/c13-4-2-1-3-7(14)10(18)15-8(5-17)11(19)16-9(6-22)12(20)21/h7-9,17,22H,1-6,13-14H2,(H,15,18)(H,16,19)(H,20,21)/t7-,8-,9-/m0/s1 |
| SMILES | NCCCC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C12H24N4O5S/c13-4-2-1-3-7(14)10(18)15-8(5-17)11(19)16-9(6-22)12(20)21/h7-9,17,22H,1-6,13-14H2,(H,15,18)(H,16,19)(H,20,21)/t7-,8-,9-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][CH2:4][NH2:13])[CH2:3][C@@H:7]([C:10](=[N:15][C@@H:8]([CH2:5][OH:17])[C:11](=[N:16][C@@H:9]([CH2:6][SH:22])[C:12](=[O:20])[OH:21])[OH:19])[OH:18])[NH2:14] |
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