| Properties | Image |
| MNX_ID | MNXM1123961 |
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| reference | chebi:161363 |
| formula | C11H22N4O4S |
| global charge | 0 |
| mol weight | 306.388 |
| InChIKey | DZSICRGTVPDCRN-YUMQZZPRSA-N |
| InChI | InChI=1S/C11H22N4O4S/c12-4-2-1-3-8(11(18)19)15-9(16)5-14-10(17)7(13)6-20/h7-8,20H,1-6,12-13H2,(H,14,17)(H,15,16)(H,18,19)/t7-,8-/m0/s1 |
| SMILES | NCCCC[C@H](NC(=O)CNC(=O)[C@@H](N)CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C11H22N4O4S/c12-4-2-1-3-8(11(18)19)15-9(16)5-14-10(17)7(13)6-20/h7-8,20H,1-6,12-13H2,(H,14,17)(H,15,16)(H,18,19)/t7-,8-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][CH2:4][NH2:12])[CH2:3][C@@H:8]([C:11](=[O:18])[OH:19])[N:15]=[C:9]([CH2:5][N:14]=[C:10]([C@H:7]([CH2:6][SH:20])[NH2:13])[OH:17])[OH:16] |
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