| Properties | Image |
|---|
| MNX_ID | MNXM1128150 |
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| reference | chebi:166189 |
| formula | C14H25N3O7 |
| global charge | 0 |
| mol weight | 347.368 |
| InChIKey | XWYUBUYQMOUFRQ-IFFSRLJSSA-N |
| InChI | InChI=1S/C14H25N3O7/c1-6(2)10(15)13(22)16-8(4-5-9(19)20)12(21)17-11(7(3)18)14(23)24/h6-8,10-11,18H,4-5,15H2,1-3H3,(H,16,22)(H,17,21)(H,19,20)(H,23,24)/t7-,8+,10+,11+/m1/s1 |
| SMILES | CC(C)[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)O)[C@@H](C)O |
MNX internals
| InChI (mnx) | InChI=1/C14H25N3O7/c1-6(2)10(15)13(22)16-8(4-5-9(19)20)12(21)17-11(7(3)18)14(23)24/h6-8,10-11,18H,4-5,15H2,1-3H3,(H,16,22)(H,17,21)(H,19,20)(H,23,24)/t7-,8+,10+,11+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH:6]([CH3:2])[C@@H:10]([C:13](=[N:16][C@@H:8]([CH2:4][CH2:5][C:9](=[O:19])[OH:20])[C:12](=[N:17][C@@H:11]([C@@H:7]([CH3:3])[OH:18])[C:14](=[O:23])[OH:24])[OH:21])[OH:22])[NH2:15] |
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