| Properties | Image |
|---|
| MNX_ID | MNXM744797 |
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| reference | biggM:methislys |
| formula | C17H31N6O4S |
| global charge | 1 |
| mol weight | 415.54 |
| InChIKey | DYTWOWJWJCBFLE-MCIONIFRSA-O |
| InChI | InChI=1S/C17H30N6O4S/c1-28-7-5-12(19)15(24)23-14(8-11-9-20-10-21-11)16(25)22-13(17(26)27)4-2-3-6-18/h9-10,12-14H,2-8,18-19H2,1H3,(H,20,21)(H,22,25)(H,23,24)(H,26,27)/p+1/t12-,13-,14+/m1/s1 |
| SMILES | CSCC[C@@H](N)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@H](CCCC[NH3+])C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H30N6O4S/c1-28-7-5-12(19)15(24)23-14(8-11-9-20-10-21-11)16(25)22-13(17(26)27)4-2-3-6-18/h9-10,12-14H,2-8,18-19H2,1H3,(H,20,21)(H,22,25)(H,23,24)(H,26,27)/t12-,13-,14+/m1/s1 |
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| SMILES (mnx) | [CH3:1][S:28][CH2:7][CH2:5][C@H:12]([C:15](=[N:23][C@@H:14]([CH2:8][C:11]1=[CH:9][N:20]=[CH:10][NH:21]1)[C:16](=[N:22][C@H:13]([CH2:4][CH2:2][CH2:3][CH2:6][NH2:18])[C:17](=[O:26])[OH:27])[OH:25])[OH:24])[NH2:19] |
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