| Properties | Image |
|---|
| MNX_ID | MNXM1122514 |
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| reference | chebi:159908 |
| formula | C14H26N4O6 |
| global charge | 0 |
| mol weight | 346.384 |
| InChIKey | FHETWELNCBMRMG-HJGDQZAQSA-N |
| InChI | InChI=1S/C14H26N4O6/c1-6(2)4-9(17-12(21)8(15)5-10(16)20)13(22)18-11(7(3)19)14(23)24/h6-9,11,19H,4-5,15H2,1-3H3,(H2,16,20)(H,17,21)(H,18,22)(H,23,24)/t7-,8+,9+,11+/m1/s1 |
| SMILES | CC(C)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O |
MNX internals
| InChI (mnx) | InChI=1/C14H26N4O6/c1-6(2)4-9(17-12(21)8(15)5-10(16)20)13(22)18-11(7(3)19)14(23)24/h6-9,11,19H,4-5,15H2,1-3H3,(H2,16,20)(H,17,21)(H,18,22)(H,23,24)/t7-,8+,9+,11+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:6]([CH3:2])[CH2:4][C@@H:9]([C:13](=[N:18][C@@H:11]([C@@H:7]([CH3:3])[OH:19])[C:14](=[O:23])[OH:24])[OH:22])[N:17]=[C:12]([C@H:8]([CH2:5][C:10](=[NH:16])[OH:20])[NH2:15])[OH:21] |
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