| Properties | Image |
|---|
| MNX_ID | MNXM1121131 |
 |
| reference | chebi:158518 |
| formula | C17H31N3O4 |
| global charge | 0 |
| mol weight | 341.452 |
| InChIKey | UWLHDGMRWXHFFY-HPCHECBXSA-N |
| InChI | InChI=1S/C17H31N3O4/c1-5-10(3)13(18)15(21)19-14(11(4)6-2)16(22)20-9-7-8-12(20)17(23)24/h10-14H,5-9,18H2,1-4H3,(H,19,21)(H,23,24)/t10-,11-,12+,13-,14-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@@H]1C(=O)O)[C@@H](C)CC |
MNX internals
| InChI (mnx) | InChI=1/C17H31N3O4/c1-5-10(3)13(18)15(21)19-14(11(4)6-2)16(22)20-9-7-8-12(20)17(23)24/h10-14H,5-9,18H2,1-4H3,(H,19,21)(H,23,24)/t10-,11-,12+,13-,14-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][C@H:10]([CH3:3])[C@@H:13]([C:15](=[N:19][C@@H:14]([C@@H:11]([CH3:4])[CH2:6][CH3:2])[C:16]([N:20]1[CH2:9][CH2:7][CH2:8][C@@H:12]1[C:17](=[O:23])[OH:24])=[O:22])[OH:21])[NH2:18] |
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