| Properties | Image |
| MNX_ID | MNXM1123852 |
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| reference | chebi:161254 |
| formula | C17H23N3O6 |
| global charge | 0 |
| mol weight | 365.386 |
| InChIKey | CYZBFPYMSJGBRL-DRZSPHRISA-N |
| InChI | InChI=1S/C17H23N3O6/c1-10(15(23)20-13(17(25)26)7-8-14(21)22)19-16(24)12(18)9-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9,18H2,1H3,(H,19,24)(H,20,23)(H,21,22)(H,25,26)/t10-,12-,13-/m0/s1 |
| SMILES | C[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H23N3O6/c1-10(15(23)20-13(17(25)26)7-8-14(21)22)19-16(24)12(18)9-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9,18H2,1H3,(H,19,24)(H,20,23)(H,21,22)(H,25,26)/t10-,12-,13-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C@@H:10]([C:15](=[N:20][C@@H:13]([CH2:7][CH2:8][C:14](=[O:21])[OH:22])[C:17](=[O:25])[OH:26])[OH:23])[N:19]=[C:16]([C@H:12]([CH2:9][C:11]1=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]1)[NH2:18])[OH:24] |
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