| Properties | Image |
|---|
| MNX_ID | MNXM1127264 |
 |
| reference | chebi:164686 |
| formula | C22H24N4O4 |
| global charge | 0 |
| mol weight | 408.458 |
| InChIKey | NOFFAYIYPAUNRM-HKUYNNGSSA-N |
| InChI | InChI=1S/C22H24N4O4/c23-17(11-15-12-24-18-9-5-4-8-16(15)18)21(28)25-13-20(27)26-19(22(29)30)10-14-6-2-1-3-7-14/h1-9,12,17,19,24H,10-11,13,23H2,(H,25,28)(H,26,27)(H,29,30)/t17-,19-/m0/s1 |
| SMILES | N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C22H24N4O4/c23-17(11-15-12-24-18-9-5-4-8-16(15)18)21(28)25-13-20(27)26-19(22(29)30)10-14-6-2-1-3-7-14/h1-9,12,17,19,24H,10-11,13,23H2,(H,25,28)(H,26,27)(H,29,30)/t17-,19-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:6]=[C:14]([CH2:10][C@@H:19]([C:22](=[O:29])[OH:30])[N:26]=[C:20]([CH2:13][N:25]=[C:21]([C@H:17]([CH2:11][C:15]2=[CH:12][NH:24][C:18]3=[CH:9][CH:5]=[CH:4][CH:8]=[C:16]23)[NH2:23])[OH:28])[OH:27])[CH:7]=[CH:3]1 |
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