| Properties | Image |
|---|
| MNX_ID | MNXM1128072 |
 |
| reference | chebi:166111 |
| formula | C18H26N4O6 |
| global charge | 0 |
| mol weight | 394.428 |
| InChIKey | IQQYYFPCWKWUHW-YDHLFZDLSA-N |
| InChI | InChI=1S/C18H26N4O6/c1-9(2)15(20)17(26)21-12(8-14(19)24)16(25)22-13(18(27)28)7-10-3-5-11(23)6-4-10/h3-6,9,12-13,15,23H,7-8,20H2,1-2H3,(H2,19,24)(H,21,26)(H,22,25)(H,27,28)/t12-,13-,15-/m0/s1 |
| SMILES | CC(C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H26N4O6/c1-9(2)15(20)17(26)21-12(8-14(19)24)16(25)22-13(18(27)28)7-10-3-5-11(23)6-4-10/h3-6,9,12-13,15,23H,7-8,20H2,1-2H3,(H2,19,24)(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:12]([CH2:8][C:14](=[NH:19])[OH:24])[C:16](=[N:22][C@@H:13]([CH2:7][C:10]1=[CH:4][CH:6]=[C:11]([OH:23])[CH:5]=[CH:3]1)[C:18](=[O:27])[OH:28])[OH:25])[OH:26])[NH2:20] |
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