| Properties | Image |
|---|
| MNX_ID | MNXM1121320 |
 |
| reference | chebi:158708 |
| formula | C17H31N3O4 |
| global charge | 0 |
| mol weight | 341.452 |
| InChIKey | IVXJIMGDOYRLQU-XUXIUFHCSA-N |
| InChI | InChI=1S/C17H31N3O4/c1-5-11(4)14(18)16(22)20-8-6-7-13(20)15(21)19-12(17(23)24)9-10(2)3/h10-14H,5-9,18H2,1-4H3,(H,19,21)(H,23,24)/t11-,12-,13-,14-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H31N3O4/c1-5-11(4)14(18)16(22)20-8-6-7-13(20)15(21)19-12(17(23)24)9-10(2)3/h10-14H,5-9,18H2,1-4H3,(H,19,21)(H,23,24)/t11-,12-,13-,14-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][C@H:11]([CH3:4])[C@@H:14]([C:16]([N:20]1[CH2:8][CH2:6][CH2:7][C@H:13]1[C:15](=[N:19][C@@H:12]([CH2:9][CH:10]([CH3:2])[CH3:3])[C:17](=[O:23])[OH:24])[OH:21])=[O:22])[NH2:18] |
|