| Properties | Image |
|---|
| MNX_ID | MNXM1123904 |
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| reference | chebi:161306 |
| formula | C20H30N6O4 |
| global charge | 0 |
| mol weight | 418.498 |
| InChIKey | BRDYYVQTEJVRQT-HRCADAONSA-N |
| InChI | InChI=1S/C20H30N6O4/c21-14(12-13-6-2-1-3-7-13)17(27)25-15(8-4-10-24-20(22)23)18(28)26-11-5-9-16(26)19(29)30/h1-3,6-7,14-16H,4-5,8-12,21H2,(H,25,27)(H,29,30)(H4,22,23,24)/t14-,15-,16+/m0/s1 |
| SMILES | NC(N)=NCCC[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N1CCC[C@@H]1C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H30N6O4/c21-14(12-13-6-2-1-3-7-13)17(27)25-15(8-4-10-24-20(22)23)18(28)26-11-5-9-16(26)19(29)30/h1-3,6-7,14-16H,4-5,8-12,21H2,(H,25,27)(H,29,30)(H4,22,23,24)/t14-,15-,16+/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:6]=[C:13]([CH2:12][C@@H:14]([C:17](=[N:25][C@@H:15]([CH2:8][CH2:4][CH2:10][NH:24][C:20](=[NH:22])[NH2:23])[C:18]([N:26]2[CH2:11][CH2:5][CH2:9][C@@H:16]2[C:19](=[O:29])[OH:30])=[O:28])[OH:27])[NH2:21])[CH:7]=[CH:3]1 |
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