| Properties | Image |
|---|
| MNX_ID | MNXM1122034 |
 |
| reference | chebi:159423 |
| formula | C20H30N6O5 |
| global charge | 0 |
| mol weight | 434.497 |
| InChIKey | QCTOLCVIGRLMQS-HRCADAONSA-N |
| InChI | InChI=1S/C20H30N6O5/c21-14(3-1-9-24-20(22)23)17(28)25-15(11-12-5-7-13(27)8-6-12)18(29)26-10-2-4-16(26)19(30)31/h5-8,14-16,27H,1-4,9-11,21H2,(H,25,28)(H,30,31)(H4,22,23,24)/t14-,15-,16+/m0/s1 |
| SMILES | NC(N)=NCCC[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@@H]1C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H30N6O5/c21-14(3-1-9-24-20(22)23)17(28)25-15(11-12-5-7-13(27)8-6-12)18(29)26-10-2-4-16(26)19(30)31/h5-8,14-16,27H,1-4,9-11,21H2,(H,25,28)(H,30,31)(H4,22,23,24)/t14-,15-,16+/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]([CH2:3][C@@H:14]([C:17](=[N:25][C@@H:15]([CH2:11][C:12]1=[CH:6][CH:8]=[C:13]([OH:27])[CH:7]=[CH:5]1)[C:18]([N:26]1[CH2:10][CH2:2][CH2:4][C@@H:16]1[C:19](=[O:30])[OH:31])=[O:29])[OH:28])[NH2:21])[CH2:9][NH:24][C:20](=[NH:22])[NH2:23] |
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