| Properties | Image |
|---|
| MNX_ID | MNXM1127999 |
 |
| reference | chebi:166037 |
| formula | C18H26N4O6 |
| global charge | 0 |
| mol weight | 394.428 |
| InChIKey | AEOFMCAKYIQQFY-YDHLFZDLSA-N |
| InChI | InChI=1S/C18H26N4O6/c1-9(2)15(17(26)21-13(18(27)28)8-14(20)24)22-16(25)12(19)7-10-3-5-11(23)6-4-10/h3-6,9,12-13,15,23H,7-8,19H2,1-2H3,(H2,20,24)(H,21,26)(H,22,25)(H,27,28)/t12-,13-,15-/m0/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H26N4O6/c1-9(2)15(17(26)21-13(18(27)28)8-14(20)24)22-16(25)12(19)7-10-3-5-11(23)6-4-10/h3-6,9,12-13,15,23H,7-8,19H2,1-2H3,(H2,20,24)(H,21,26)(H,22,25)(H,27,28)/t12-,13-,15-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:9]([CH3:2])[C@@H:15]([C:17](=[N:21][C@@H:13]([CH2:8][C:14](=[NH:20])[OH:24])[C:18](=[O:27])[OH:28])[OH:26])[N:22]=[C:16]([C@H:12]([CH2:7][C:10]1=[CH:4][CH:6]=[C:11]([OH:23])[CH:5]=[CH:3]1)[NH2:19])[OH:25] |
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