| Properties | Image |
|---|
| MNX_ID | MNXM744951 |
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| reference | biggM:trpthrtyr |
| formula | C24H28N4O6 |
| global charge | 0 |
| mol weight | 468.51 |
| InChIKey | WTRQBSSQBKRNKV-NDKINLCJSA-N |
| InChI | InChI=1S/C24H28N4O6/c1-13(29)21(23(32)27-20(24(33)34)10-14-6-8-16(30)9-7-14)28-22(31)18(25)11-15-12-26-19-5-3-2-4-17(15)19/h2-9,12-13,18,20-21,26,29-30H,10-11,25H2,1H3,(H,27,32)(H,28,31)(H,33,34)/t13-,18-,20-,21+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](NC(=O)[C@H](N)CC1=CNC2=C1C=CC=C2)C(=O)N[C@H](CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C24H28N4O6/c1-13(29)21(23(32)27-20(24(33)34)10-14-6-8-16(30)9-7-14)28-22(31)18(25)11-15-12-26-19-5-3-2-4-17(15)19/h2-9,12-13,18,20-21,26,29-30H,10-11,25H2,1H3,(H,27,32)(H,28,31)(H,33,34)/t13-,18-,20-,21+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@H:13]([C@@H:21]([C:23](=[N:27][C@H:20]([CH2:10][C:14]1=[CH:7][CH:9]=[C:16]([OH:30])[CH:8]=[CH:6]1)[C:24](=[O:33])[OH:34])[OH:32])[N:28]=[C:22]([C@@H:18]([CH2:11][C:15]1=[CH:12][NH:26][C:19]2=[CH:5][CH:3]=[CH:2][CH:4]=[C:17]12)[NH2:25])[OH:31])[OH:29] |
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