| Properties | Image |
| MNX_ID | MNXM1124133 |
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| reference | chebi:161535 |
| formula | C16H23N3O4S |
| global charge | 0 |
| mol weight | 353.444 |
| InChIKey | VJLLEKDQJSMHRU-STQMWFEESA-N |
| InChI | InChI=1S/C16H23N3O4S/c1-24-8-7-13(16(22)23)19-14(20)10-18-15(21)12(17)9-11-5-3-2-4-6-11/h2-6,12-13H,7-10,17H2,1H3,(H,18,21)(H,19,20)(H,22,23)/t12-,13-/m0/s1 |
| SMILES | CSCC[C@H](NC(=O)CNC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H23N3O4S/c1-24-8-7-13(16(22)23)19-14(20)10-18-15(21)12(17)9-11-5-3-2-4-6-11/h2-6,12-13H,7-10,17H2,1H3,(H,18,21)(H,19,20)(H,22,23)/t12-,13-/m0/s1 |
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| SMILES (mnx) | [CH3:1][S:24][CH2:8][CH2:7][C@@H:13]([C:16](=[O:22])[OH:23])[N:19]=[C:14]([CH2:10][N:18]=[C:15]([C@H:12]([CH2:9][C:11]1=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]1)[NH2:17])[OH:21])[OH:20] |
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