| Properties | Image |
|---|
| MNX_ID | MNXM1121896 |
 |
| reference | chebi:159285 |
| formula | C18H35N3O4 |
| global charge | 0 |
| mol weight | 357.495 |
| InChIKey | KUIDCYNIEJBZBU-AJNGGQMLSA-N |
| InChI | InChI=1S/C18H35N3O4/c1-7-12(6)15(21-16(22)13(19)8-10(2)3)17(23)20-14(18(24)25)9-11(4)5/h10-15H,7-9,19H2,1-6H3,(H,20,23)(H,21,22)(H,24,25)/t12-,13-,14-,15-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H35N3O4/c1-7-12(6)15(21-16(22)13(19)8-10(2)3)17(23)20-14(18(24)25)9-11(4)5/h10-15H,7-9,19H2,1-6H3,(H,20,23)(H,21,22)(H,24,25)/t12-,13-,14-,15-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:7][C@H:12]([CH3:6])[C@@H:15]([C:17](=[N:20][C@@H:14]([CH2:9][CH:11]([CH3:4])[CH3:5])[C:18](=[O:24])[OH:25])[OH:23])[N:21]=[C:16]([C@H:13]([CH2:8][CH:10]([CH3:2])[CH3:3])[NH2:19])[OH:22] |
|