| Properties | Image |
|---|
| MNX_ID | MNXM1127559 |
 |
| reference | chebi:164986 |
| formula | C18H24N4O6 |
| global charge | 0 |
| mol weight | 392.412 |
| InChIKey | VTFWAGGJDRSQFG-MELADBBJSA-N |
| InChI | InChI=1S/C18H24N4O6/c19-12(8-10-3-5-11(23)6-4-10)16(25)21-13(9-15(20)24)17(26)22-7-1-2-14(22)18(27)28/h3-6,12-14,23H,1-2,7-9,19H2,(H2,20,24)(H,21,25)(H,27,28)/t12-,13-,14+/m0/s1 |
| SMILES | NC(=O)C[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N1CCC[C@@H]1C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H24N4O6/c19-12(8-10-3-5-11(23)6-4-10)16(25)21-13(9-15(20)24)17(26)22-7-1-2-14(22)18(27)28/h3-6,12-14,23H,1-2,7-9,19H2,(H2,20,24)(H,21,25)(H,27,28)/t12-,13-,14+/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]1[CH2:2][C@H:14]([C:18](=[O:27])[OH:28])[N:22]([C:17]([C@H:13]([CH2:9][C:15](=[NH:20])[OH:24])[N:21]=[C:16]([C@H:12]([CH2:8][C:10]2=[CH:4][CH:6]=[C:11]([OH:23])[CH:5]=[CH:3]2)[NH2:19])[OH:25])=[O:26])[CH2:7]1 |
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