| Properties | Image |
| MNX_ID | MNXM1123513 |
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| reference | chebi:160914 |
| formula | C16H30N4O4S |
| global charge | 0 |
| mol weight | 374.507 |
| InChIKey | IRVONVRHHJXWTK-RWMBFGLXSA-N |
| InChI | InChI=1S/C16H30N4O4S/c1-25-10-7-11(18)14(21)19-12(5-2-3-8-17)15(22)20-9-4-6-13(20)16(23)24/h11-13H,2-10,17-18H2,1H3,(H,19,21)(H,23,24)/t11-,12-,13+/m0/s1 |
| SMILES | CSCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H30N4O4S/c1-25-10-7-11(18)14(21)19-12(5-2-3-8-17)15(22)20-9-4-6-13(20)16(23)24/h11-13H,2-10,17-18H2,1H3,(H,19,21)(H,23,24)/t11-,12-,13+/m0/s1 |
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| SMILES (mnx) | [CH3:1][S:25][CH2:10][CH2:7][C@@H:11]([C:14](=[N:19][C@@H:12]([CH2:5][CH2:2][CH2:3][CH2:8][NH2:17])[C:15]([N:20]1[CH2:9][CH2:4][CH2:6][C@@H:13]1[C:16](=[O:23])[OH:24])=[O:22])[OH:21])[NH2:18] |
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