| Properties | Image |
| MNX_ID | MNXM1124127 |
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| reference | chebi:161529 |
| formula | C14H26N4O4S |
| global charge | 0 |
| mol weight | 346.453 |
| InChIKey | XMVZMBGFIOQONW-GARJFASQSA-N |
| InChI | InChI=1S/C14H26N4O4S/c15-6-2-1-4-10(17-12(19)9(16)8-23)13(20)18-7-3-5-11(18)14(21)22/h9-11,23H,1-8,15-16H2,(H,17,19)(H,21,22)/t9-,10-,11+/m0/s1 |
| SMILES | NCCCC[C@H](NC(=O)[C@@H](N)CS)C(=O)N1CCC[C@@H]1C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C14H26N4O4S/c15-6-2-1-4-10(17-12(19)9(16)8-23)13(20)18-7-3-5-11(18)14(21)22/h9-11,23H,1-8,15-16H2,(H,17,19)(H,21,22)/t9-,10-,11+/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][CH2:6][NH2:15])[CH2:4][C@@H:10]([C:13]([N:18]1[CH2:7][CH2:3][CH2:5][C@@H:11]1[C:14](=[O:21])[OH:22])=[O:20])[N:17]=[C:12]([C@H:9]([CH2:8][SH:23])[NH2:16])[OH:19] |
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