| Properties | Image |
| MNX_ID | MNXM1123890 |
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| reference | chebi:161292 |
| formula | C17H26N6O4 |
| global charge | 0 |
| mol weight | 378.433 |
| InChIKey | CGOMLCQJEMWMCE-STQMWFEESA-N |
| InChI | InChI=1S/C17H26N6O4/c18-12(9-11-5-2-1-3-6-11)15(26)23-13(7-4-8-21-17(19)20)16(27)22-10-14(24)25/h1-3,5-6,12-13H,4,7-10,18H2,(H,22,27)(H,23,26)(H,24,25)(H4,19,20,21)/t12-,13-/m0/s1 |
| SMILES | NC(N)=NCCC[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)NCC(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H26N6O4/c18-12(9-11-5-2-1-3-6-11)15(26)23-13(7-4-8-21-17(19)20)16(27)22-10-14(24)25/h1-3,5-6,12-13H,4,7-10,18H2,(H,22,27)(H,23,26)(H,24,25)(H4,19,20,21)/t12-,13-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:5]=[C:11]([CH2:9][C@@H:12]([C:15](=[N:23][C@@H:13]([CH2:7][CH2:4][CH2:8][NH:21][C:17](=[NH:19])[NH2:20])[C:16](=[N:22][CH2:10][C:14](=[O:24])[OH:25])[OH:27])[OH:26])[NH2:18])[CH:6]=[CH:3]1 |
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