| Properties | Image |
| MNX_ID | MNXM1122771 |
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| reference | chebi:160166 |
| formula | C14H28N4O5S |
| global charge | 0 |
| mol weight | 364.468 |
| InChIKey | JYVCOTWSRGFABJ-DCAQKATOSA-N |
| InChI | InChI=1S/C14H28N4O5S/c1-24-7-5-10(13(21)18-11(8-19)14(22)23)17-12(20)9(16)4-2-3-6-15/h9-11,19H,2-8,15-16H2,1H3,(H,17,20)(H,18,21)(H,22,23)/t9-,10-,11-/m0/s1 |
| SMILES | CSCC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C14H28N4O5S/c1-24-7-5-10(13(21)18-11(8-19)14(22)23)17-12(20)9(16)4-2-3-6-15/h9-11,19H,2-8,15-16H2,1H3,(H,17,20)(H,18,21)(H,22,23)/t9-,10-,11-/m0/s1 |
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| SMILES (mnx) | [CH3:1][S:24][CH2:7][CH2:5][C@@H:10]([C:13](=[N:18][C@@H:11]([CH2:8][OH:19])[C:14](=[O:22])[OH:23])[OH:21])[N:17]=[C:12]([C@H:9]([CH2:4][CH2:2][CH2:3][CH2:6][NH2:15])[NH2:16])[OH:20] |
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