| Properties | Image |
| MNX_ID | MNXM1122765 |
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| reference | chebi:160160 |
| formula | C16H32N4O4S2 |
| global charge | 0 |
| mol weight | 408.59 |
| InChIKey | INMBONMDMGPADT-AVGNSLFASA-N |
| InChI | InChI=1S/C16H32N4O4S2/c1-25-9-6-12(19-14(21)11(18)5-3-4-8-17)15(22)20-13(16(23)24)7-10-26-2/h11-13H,3-10,17-18H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)/t11-,12-,13-/m0/s1 |
| SMILES | CSCC[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCCCN)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H32N4O4S2/c1-25-9-6-12(19-14(21)11(18)5-3-4-8-17)15(22)20-13(16(23)24)7-10-26-2/h11-13H,3-10,17-18H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)/t11-,12-,13-/m0/s1 |
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| SMILES (mnx) | [CH3:1][S:25][CH2:9][CH2:6][C@@H:12]([C:15](=[N:20][C@@H:13]([CH2:7][CH2:10][S:26][CH3:2])[C:16](=[O:23])[OH:24])[OH:22])[N:19]=[C:14]([C@H:11]([CH2:5][CH2:3][CH2:4][CH2:8][NH2:17])[NH2:18])[OH:21] |
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