| Properties | Image |
|---|
| MNX_ID | MNXM166552 |
 |
| reference | biggM:CE5829 |
| formula | C18H34N4O6 |
| global charge | 0 |
| mol weight | 402.492 |
| InChIKey | IMIVWAUMTAIVPJ-MQYQWHSLSA-N |
| InChI | InChI=1S/C18H34N4O6/c1-9(2)6-12(19)16(25)22-14(8-23)17(26)20-11(5)15(24)21-13(18(27)28)7-10(3)4/h9-14,23H,6-8,19H2,1-5H3,(H,20,26)(H,21,24)(H,22,25)(H,27,28)/t11-,12-,13+,14+/m1/s1 |
| SMILES | CC(C)C[C@@H](N)C(O)=N[C@@H](CO)C(O)=N[C@H](C)C(O)=N[C@@H](CC(C)C)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H34N4O6/c1-9(2)6-12(19)16(25)22-14(8-23)17(26)20-11(5)15(24)21-13(18(27)28)7-10(3)4/h9-14,23H,6-8,19H2,1-5H3,(H,20,26)(H,21,24)(H,22,25)(H,27,28)/t11-,12-,13+,14+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:9]([CH3:2])[CH2:6][C@H:12]([C:16](=[N:22][C@@H:14]([CH2:8][OH:23])[C:17](=[N:20][C@H:11]([CH3:5])[C:15](=[N:21][C@@H:13]([CH2:7][CH:10]([CH3:3])[CH3:4])[C:18](=[O:27])[OH:28])[OH:24])[OH:26])[OH:25])[NH2:19] |
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