| Properties | Image |
| MNX_ID | MNXM1123351 |
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| reference | chebi:160752 |
| formula | C16H23N3O4S |
| global charge | 0 |
| mol weight | 353.444 |
| InChIKey | LQMHZERGCQJKAH-STQMWFEESA-N |
| InChI | InChI=1S/C16H23N3O4S/c1-24-8-7-12(17)15(21)18-10-14(20)19-13(16(22)23)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](N)C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H23N3O4S/c1-24-8-7-12(17)15(21)18-10-14(20)19-13(16(22)23)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:12]([C:15](=[N:18][CH2:10][C:14](=[N:19][C@@H:13]([CH2:9][C:11]1=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]1)[C:16](=[O:22])[OH:23])[OH:20])[OH:21])[NH2:17] |
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