| Properties | Image |
|---|
| MNX_ID | MNXM1126686 |
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| reference | chebi:164101 |
| formula | C24H25N5O4 |
| global charge | 0 |
| mol weight | 447.495 |
| InChIKey | WSLHFAFASQFMSK-SFTDATJTSA-N |
| InChI | InChI=1S/C24H25N5O4/c25-11-22(30)28-20(9-14-12-26-18-7-3-1-5-16(14)18)23(31)29-21(24(32)33)10-15-13-27-19-8-4-2-6-17(15)19/h1-8,12-13,20-21,26-27H,9-11,25H2,(H,28,30)(H,29,31)(H,32,33)/t20-,21-/m0/s1 |
| SMILES | NCC(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C24H25N5O4/c25-11-22(30)28-20(9-14-12-26-18-7-3-1-5-16(14)18)23(31)29-21(24(32)33)10-15-13-27-19-8-4-2-6-17(15)19/h1-8,12-13,20-21,26-27H,9-11,25H2,(H,28,30)(H,29,31)(H,32,33)/t20-,21-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:3][CH:7]=[C:18]2[C:16](=[CH:5]1)[C:14]([CH2:9][C@@H:20]([C:23](=[N:29][C@@H:21]([CH2:10][C:15]1=[CH:13][NH:27][C:19]3=[CH:8][CH:4]=[CH:2][CH:6]=[C:17]13)[C:24](=[O:32])[OH:33])[OH:31])[N:28]=[C:22]([CH2:11][NH2:25])[OH:30])=[CH:12][NH:26]2 |
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