| Properties | Image |
|---|
| MNX_ID | MNXM1121133 |
 |
| reference | chebi:158520 |
| formula | C15H29N3O5 |
| global charge | 0 |
| mol weight | 331.413 |
| InChIKey | PFPUFNLHBXKPHY-HTFCKZLJSA-N |
| InChI | InChI=1S/C15H29N3O5/c1-5-8(3)11(16)13(20)18-12(9(4)6-2)14(21)17-10(7-19)15(22)23/h8-12,19H,5-7,16H2,1-4H3,(H,17,21)(H,18,20)(H,22,23)/t8-,9-,10-,11-,12-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)CC |
MNX internals
| InChI (mnx) | InChI=1/C15H29N3O5/c1-5-8(3)11(16)13(20)18-12(9(4)6-2)14(21)17-10(7-19)15(22)23/h8-12,19H,5-7,16H2,1-4H3,(H,17,21)(H,18,20)(H,22,23)/t8-,9-,10-,11-,12-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][C@H:8]([CH3:3])[C@@H:11]([C:13](=[N:18][C@@H:12]([C@@H:9]([CH3:4])[CH2:6][CH3:2])[C:14](=[N:17][C@@H:10]([CH2:7][OH:19])[C:15](=[O:22])[OH:23])[OH:21])[OH:20])[NH2:16] |
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