| Properties | Image |
|---|
| MNX_ID | MNXM1123358 |
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| reference | chebi:160759 |
| formula | C18H24N4O4S |
| global charge | 0 |
| mol weight | 392.481 |
| InChIKey | MHQXIBRPDKXDGZ-ZFWWWQNUSA-N |
| InChI | InChI=1S/C18H24N4O4S/c1-27-7-6-13(19)17(24)21-10-16(23)22-15(18(25)26)8-11-9-20-14-5-3-2-4-12(11)14/h2-5,9,13,15,20H,6-8,10,19H2,1H3,(H,21,24)(H,22,23)(H,25,26)/t13-,15-/m0/s1 |
| SMILES | CSCC[C@H](N)C(=O)NCC(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H24N4O4S/c1-27-7-6-13(19)17(24)21-10-16(23)22-15(18(25)26)8-11-9-20-14-5-3-2-4-12(11)14/h2-5,9,13,15,20H,6-8,10,19H2,1H3,(H,21,24)(H,22,23)(H,25,26)/t13-,15-/m0/s1 |
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| SMILES (mnx) | [CH3:1][S:27][CH2:7][CH2:6][C@@H:13]([C:17](=[N:21][CH2:10][C:16](=[N:22][C@@H:15]([CH2:8][C:11]1=[CH:9][NH:20][C:14]2=[CH:5][CH:3]=[CH:2][CH:4]=[C:12]12)[C:18](=[O:25])[OH:26])[OH:23])[OH:24])[NH2:19] |
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