| Properties | Image |
|---|
| MNX_ID | MNXM1125361 |
 |
| reference | chebi:162773 |
| formula | C23H27N3O6 |
| global charge | 0 |
| mol weight | 441.484 |
| InChIKey | QDDJNKWPTJHROJ-UFYCRDLUSA-N |
| InChI | InChI=1S/C23H27N3O6/c27-16-7-3-14(4-8-16)12-19(25-21(29)18-2-1-11-24-18)22(30)26-20(23(31)32)13-15-5-9-17(28)10-6-15/h3-10,18-20,24,27-28H,1-2,11-13H2,(H,25,29)(H,26,30)(H,31,32)/t18-,19-,20-/m0/s1 |
| SMILES | O=C(O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H]1CCCN1 |
MNX internals
| InChI (mnx) | InChI=1/C23H27N3O6/c27-16-7-3-14(4-8-16)12-19(25-21(29)18-2-1-11-24-18)22(30)26-20(23(31)32)13-15-5-9-17(28)10-6-15/h3-10,18-20,24,27-28H,1-2,11-13H2,(H,25,29)(H,26,30)(H,31,32)/t18-,19-,20-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]1[CH2:2][C@@H:18]([C:21](=[N:25][C@@H:19]([CH2:12][C:14]2=[CH:4][CH:8]=[C:16]([OH:27])[CH:7]=[CH:3]2)[C:22](=[N:26][C@@H:20]([CH2:13][C:15]2=[CH:6][CH:10]=[C:17]([OH:28])[CH:9]=[CH:5]2)[C:23](=[O:31])[OH:32])[OH:30])[OH:29])[NH:24][CH2:11]1 |
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