| Properties | Image |
|---|
| MNX_ID | MNXM744847 |
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| reference | biggM:phetyrlys |
| formula | C24H33N4O5 |
| global charge | 1 |
| mol weight | 457.551 |
| InChIKey | DBNGDEAQXGFGRA-NJYVYQBISA-O |
| InChI | InChI=1S/C24H32N4O5/c25-13-5-4-8-20(24(32)33)27-23(31)21(15-17-9-11-18(29)12-10-17)28-22(30)19(26)14-16-6-2-1-3-7-16/h1-3,6-7,9-12,19-21,29H,4-5,8,13-15,25-26H2,(H,27,31)(H,28,30)(H,32,33)/p+1/t19-,20-,21+/m1/s1 |
| SMILES | N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@H](CCCC[NH3+])C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C24H32N4O5/c25-13-5-4-8-20(24(32)33)27-23(31)21(15-17-9-11-18(29)12-10-17)28-22(30)19(26)14-16-6-2-1-3-7-16/h1-3,6-7,9-12,19-21,29H,4-5,8,13-15,25-26H2,(H,27,31)(H,28,30)(H,32,33)/t19-,20-,21+/m1/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:6]=[C:16]([CH2:14][C@H:19]([C:22](=[N:28][C@@H:21]([CH2:15][C:17]2=[CH:10][CH:12]=[C:18]([OH:29])[CH:11]=[CH:9]2)[C:23](=[N:27][C@H:20]([CH2:8][CH2:4][CH2:5][CH2:13][NH2:25])[C:24](=[O:32])[OH:33])[OH:31])[OH:30])[NH2:26])[CH:7]=[CH:3]1 |
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