| Properties | Image |
|---|
| MNX_ID | MNXM744948 |
 |
| reference | biggM:trpsertyr |
| formula | C23H26N4O6 |
| global charge | 0 |
| mol weight | 454.483 |
| InChIKey | ABRICLFKFRFDKS-RLLQIKCJSA-N |
| InChI | InChI=1S/C23H26N4O6/c24-17(10-14-11-25-18-4-2-1-3-16(14)18)21(30)27-20(12-28)22(31)26-19(23(32)33)9-13-5-7-15(29)8-6-13/h1-8,11,17,19-20,25,28-29H,9-10,12,24H2,(H,26,31)(H,27,30)(H,32,33)/t17-,19-,20+/m1/s1 |
| SMILES | N[C@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CO)C(=O)N[C@H](CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C23H26N4O6/c24-17(10-14-11-25-18-4-2-1-3-16(14)18)21(30)27-20(12-28)22(31)26-19(23(32)33)9-13-5-7-15(29)8-6-13/h1-8,11,17,19-20,25,28-29H,9-10,12,24H2,(H,26,31)(H,27,30)(H,32,33)/t17-,19-,20+/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:18]2[C:16](=[CH:3]1)[C:14]([CH2:10][C@H:17]([C:21](=[N:27][C@@H:20]([CH2:12][OH:28])[C:22](=[N:26][C@H:19]([CH2:9][C:13]1=[CH:6][CH:8]=[C:15]([OH:29])[CH:7]=[CH:5]1)[C:23](=[O:32])[OH:33])[OH:31])[OH:30])[NH2:24])=[CH:11][NH:25]2 |
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