| Properties | Image |
|---|
| MNX_ID | MNXM1125202 |
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| reference | chebi:162612 |
| formula | C19H25N3O5 |
| global charge | 0 |
| mol weight | 375.425 |
| InChIKey | AJNGQVUFQUVRQT-JYJNAYRXSA-N |
| InChI | InChI=1S/C19H25N3O5/c23-13-7-5-12(6-8-13)11-15(19(26)27)21-17(24)16-4-2-10-22(16)18(25)14-3-1-9-20-14/h5-8,14-16,20,23H,1-4,9-11H2,(H,21,24)(H,26,27)/t14-,15-,16-/m0/s1 |
| SMILES | O=C(O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1 |
MNX internals
| InChI (mnx) | InChI=1/C19H25N3O5/c23-13-7-5-12(6-8-13)11-15(19(26)27)21-17(24)16-4-2-10-22(16)18(25)14-3-1-9-20-14/h5-8,14-16,20,23H,1-4,9-11H2,(H,21,24)(H,26,27)/t14-,15-,16-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]1[CH2:3][C@@H:14]([C:18]([N:22]2[CH2:10][CH2:2][CH2:4][C@H:16]2[C:17](=[N:21][C@@H:15]([CH2:11][C:12]2=[CH:6][CH:8]=[C:13]([OH:23])[CH:7]=[CH:5]2)[C:19](=[O:26])[OH:27])[OH:24])=[O:25])[NH:20][CH2:9]1 |
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