| Properties | Image |
|---|
| MNX_ID | MNXM1127267 |
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| reference | chebi:164689 |
| formula | C17H22N4O5 |
| global charge | 0 |
| mol weight | 362.386 |
| InChIKey | OGXQLUCMJZSJPW-LYSGOOTNSA-N |
| InChI | InChI=1S/C17H22N4O5/c1-9(22)15(17(25)26)21-14(23)8-20-16(24)12(18)6-10-7-19-13-5-3-2-4-11(10)13/h2-5,7,9,12,15,19,22H,6,8,18H2,1H3,(H,20,24)(H,21,23)(H,25,26)/t9-,12+,15+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](NC(=O)CNC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H22N4O5/c1-9(22)15(17(25)26)21-14(23)8-20-16(24)12(18)6-10-7-19-13-5-3-2-4-11(10)13/h2-5,7,9,12,15,19,22H,6,8,18H2,1H3,(H,20,24)(H,21,23)(H,25,26)/t9-,12+,15+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:9]([C@@H:15]([C:17](=[O:25])[OH:26])[N:21]=[C:14]([CH2:8][N:20]=[C:16]([C@H:12]([CH2:6][C:10]1=[CH:7][NH:19][C:13]2=[CH:5][CH:3]=[CH:2][CH:4]=[C:11]12)[NH2:18])[OH:24])[OH:23])[OH:22] |
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