| Properties | Image |
|---|
| MNX_ID | MNXM1120510 |
 |
| reference | chebi:157874 |
| formula | C20H25N5O4 |
| global charge | 0 |
| mol weight | 399.451 |
| InChIKey | ULRFSEJGSHYLQI-YESZJQIVSA-N |
| InChI | InChI=1S/C20H25N5O4/c21-15(10-14-11-22-12-23-14)18(26)24-16(9-13-5-2-1-3-6-13)19(27)25-8-4-7-17(25)20(28)29/h1-3,5-6,11-12,15-17H,4,7-10,21H2,(H,22,23)(H,24,26)(H,28,29)/t15-,16-,17+/m0/s1 |
| SMILES | N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@@H]1C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H25N5O4/c21-15(10-14-11-22-12-23-14)18(26)24-16(9-13-5-2-1-3-6-13)19(27)25-8-4-7-17(25)20(28)29/h1-3,5-6,11-12,15-17H,4,7-10,21H2,(H,22,23)(H,24,26)(H,28,29)/t15-,16-,17+/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:5]=[C:13]([CH2:9][C@@H:16]([C:19]([N:25]2[CH2:8][CH2:4][CH2:7][C@@H:17]2[C:20](=[O:28])[OH:29])=[O:27])[N:24]=[C:18]([C@H:15]([CH2:10][C:14]2=[CH:11][N:22]=[CH:12][NH:23]2)[NH2:21])[OH:26])[CH:6]=[CH:3]1 |
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