| Properties | Image |
| MNX_ID | MNXM171489 |
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| reference | chebi:129511 |
| formula | C22H26N4O3 |
| global charge | 0 |
| mol weight | 394.475 |
| InChIKey | ZYUYZWWPPXICDD-MOPGFXCFSA-N |
| InChI | InChI=1S/C22H26N4O3/c1-2-10-24-21(29)26-18(13-27)19(16-7-4-3-5-8-16)22(26)14-25(15-22)20(28)17-9-6-11-23-12-17/h3-9,11-12,18-19,27H,2,10,13-15H2,1H3,(H,24,29)/t18-,19+/m1/s1 |
| SMILES | CCCNC(=O)N1[C@H](CO)[C@H](C2=CC=CC=C2)C12CN(C(=O)C1=CN=CC=C1)C2 |
MNX internals
| InChI (mnx) | InChI=1/C22H26N4O3/c1-2-10-24-21(29)26-18(13-27)19(16-7-4-3-5-8-16)22(26)14-25(15-22)20(28)17-9-6-11-23-12-17/h3-9,11-12,18-19,27H,2,10,13-15H2,1H3,(H,24,29)/t18-,19+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:2][CH2:10][N:24]=[C:21]([N:26]1[C@H:18]([CH2:13][OH:27])[C@H:19]([C:16]2=[CH:7][CH:4]=[CH:3][CH:5]=[CH:8]2)[C:22]12[CH2:14][N:25]([C:20]([C:17]1=[CH:12][N:23]=[CH:11][CH:6]=[CH:9]1)=[O:28])[CH2:15]2)[OH:29] |
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