| Properties | Image |
|---|
| MNX_ID | MNXM1120851 |
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| reference | chebi:158237 |
| formula | C20H24N6O4 |
| global charge | 0 |
| mol weight | 412.45 |
| InChIKey | GRIFPSOFWFIICX-GOPGUHFVSA-N |
| InChI | InChI=1S/C20H24N6O4/c1-11(21)18(27)25-16(7-13-9-22-10-24-13)19(28)26-17(20(29)30)6-12-8-23-15-5-3-2-4-14(12)15/h2-5,8-11,16-17,23H,6-7,21H2,1H3,(H,22,24)(H,25,27)(H,26,28)(H,29,30)/t11-,16-,17-/m0/s1 |
| SMILES | C[C@H](N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H24N6O4/c1-11(21)18(27)25-16(7-13-9-22-10-24-13)19(28)26-17(20(29)30)6-12-8-23-15-5-3-2-4-14(12)15/h2-5,8-11,16-17,23H,6-7,21H2,1H3,(H,22,24)(H,25,27)(H,26,28)(H,29,30)/t11-,16-,17-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C@@H:11]([C:18](=[N:25][C@@H:16]([CH2:7][C:13]1=[CH:9][N:22]=[CH:10][NH:24]1)[C:19](=[N:26][C@@H:17]([CH2:6][C:12]1=[CH:8][NH:23][C:15]2=[CH:5][CH:3]=[CH:2][CH:4]=[C:14]12)[C:20](=[O:29])[OH:30])[OH:28])[OH:27])[NH2:21] |
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