| Properties | Image |
|---|
| MNX_ID | MNXM1125189 |
 |
| reference | chebi:162599 |
| formula | C19H26N4O6 |
| global charge | 0 |
| mol weight | 406.439 |
| InChIKey | JTWZNMUVQWWGOX-SOUVJXGZSA-N |
| InChI | InChI=1S/C19H26N4O6/c20-13(7-8-16(21)25)17(26)22-14(10-11-3-5-12(24)6-4-11)18(27)23-9-1-2-15(23)19(28)29/h3-6,13-15,24H,1-2,7-10,20H2,(H2,21,25)(H,22,26)(H,28,29)/t13-,14-,15+/m0/s1 |
| SMILES | NC(=O)CC[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/C19H26N4O6/c20-13(7-8-16(21)25)17(26)22-14(10-11-3-5-12(24)6-4-11)18(27)23-9-1-2-15(23)19(28)29/h3-6,13-15,24H,1-2,7-10,20H2,(H2,21,25)(H,22,26)(H,28,29)/t13-,14-,15+/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]1[CH2:2][C@H:15]([C:19](=[O:28])[OH:29])[N:23]([C:18]([C@H:14]([CH2:10][C:11]2=[CH:4][CH:6]=[C:12]([OH:24])[CH:5]=[CH:3]2)[N:22]=[C:17]([C@H:13]([CH2:7][CH2:8][C:16](=[NH:21])[OH:25])[NH2:20])[OH:26])=[O:27])[CH2:9]1 |
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