| Properties | Image |
| MNX_ID | MNXM1122017 |
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| reference | chebi:159406 |
| formula | C16H31N3O4S |
| global charge | 0 |
| mol weight | 361.508 |
| InChIKey | NJMXCOOEFLMZSR-AVGNSLFASA-N |
| InChI | InChI=1S/C16H31N3O4S/c1-9(2)8-11(17)14(20)18-12(6-7-24-5)15(21)19-13(10(3)4)16(22)23/h9-13H,6-8,17H2,1-5H3,(H,18,20)(H,19,21)(H,22,23)/t11-,12-,13-/m0/s1 |
| SMILES | CSCC[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@H](C(=O)O)C(C)C |
MNX internals
| InChI (mnx) | InChI=1/C16H31N3O4S/c1-9(2)8-11(17)14(20)18-12(6-7-24-5)15(21)19-13(10(3)4)16(22)23/h9-13H,6-8,17H2,1-5H3,(H,18,20)(H,19,21)(H,22,23)/t11-,12-,13-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:9]([CH3:2])[CH2:8][C@@H:11]([C:14](=[N:18][C@@H:12]([CH2:6][CH2:7][S:24][CH3:5])[C:15](=[N:19][C@@H:13]([CH:10]([CH3:3])[CH3:4])[C:16](=[O:22])[OH:23])[OH:21])[OH:20])[NH2:17] |
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