| Properties | Image |
|---|
| MNX_ID | MNXM1126668 |
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| reference | chebi:164083 |
| formula | C19H22N6O4 |
| global charge | 0 |
| mol weight | 398.423 |
| InChIKey | RIUZKUJUPVFAGY-HOTGVXAUSA-N |
| InChI | InChI=1S/C19H22N6O4/c20-7-17(26)24-15(5-11-8-22-14-4-2-1-3-13(11)14)18(27)25-16(19(28)29)6-12-9-21-10-23-12/h1-4,8-10,15-16,22H,5-7,20H2,(H,21,23)(H,24,26)(H,25,27)(H,28,29)/t15-,16-/m0/s1 |
| SMILES | NCC(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H22N6O4/c20-7-17(26)24-15(5-11-8-22-14-4-2-1-3-13(11)14)18(27)25-16(19(28)29)6-12-9-21-10-23-12/h1-4,8-10,15-16,22H,5-7,20H2,(H,21,23)(H,24,26)(H,25,27)(H,28,29)/t15-,16-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:14]2[C:13](=[CH:3]1)[C:11]([CH2:5][C@@H:15]([C:18](=[N:25][C@@H:16]([CH2:6][C:12]1=[CH:9][N:21]=[CH:10][NH:23]1)[C:19](=[O:28])[OH:29])[OH:27])[N:24]=[C:17]([CH2:7][NH2:20])[OH:26])=[CH:8][NH:22]2 |
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