| Properties | Image |
|---|
| MNX_ID | MNXM1121360 |
 |
| reference | chebi:158748 |
| formula | C15H29N3O5 |
| global charge | 0 |
| mol weight | 331.413 |
| InChIKey | PELCGFMHLZXWBQ-BJDJZHNGSA-N |
| InChI | InChI=1S/C15H29N3O5/c1-5-9(4)12(16)14(21)18-11(7-19)13(20)17-10(15(22)23)6-8(2)3/h8-12,19H,5-7,16H2,1-4H3,(H,17,20)(H,18,21)(H,22,23)/t9-,10-,11-,12-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H29N3O5/c1-5-9(4)12(16)14(21)18-11(7-19)13(20)17-10(15(22)23)6-8(2)3/h8-12,19H,5-7,16H2,1-4H3,(H,17,20)(H,18,21)(H,22,23)/t9-,10-,11-,12-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][C@H:9]([CH3:4])[C@@H:12]([C:14](=[N:18][C@@H:11]([CH2:7][OH:19])[C:13](=[N:17][C@@H:10]([CH2:6][CH:8]([CH3:2])[CH3:3])[C:15](=[O:22])[OH:23])[OH:20])[OH:21])[NH2:16] |
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