| Properties | Image |
| MNX_ID | MNXM1123070 |
 |
| reference | chebi:160470 |
| formula | C14H27N3O4S |
| global charge | 0 |
| mol weight | 333.454 |
| InChIKey | QEVRUYFHWJJUHZ-DCAQKATOSA-N |
| InChI | InChI=1S/C14H27N3O4S/c1-8(2)7-11(14(20)21)17-12(18)9(3)16-13(19)10(15)5-6-22-4/h8-11H,5-7,15H2,1-4H3,(H,16,19)(H,17,18)(H,20,21)/t9-,10-,11-/m0/s1 |
| SMILES | CSCC[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C14H27N3O4S/c1-8(2)7-11(14(20)21)17-12(18)9(3)16-13(19)10(15)5-6-22-4/h8-11H,5-7,15H2,1-4H3,(H,16,19)(H,17,18)(H,20,21)/t9-,10-,11-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:8]([CH3:2])[CH2:7][C@@H:11]([C:14](=[O:20])[OH:21])[N:17]=[C:12]([C@H:9]([CH3:3])[N:16]=[C:13]([C@H:10]([CH2:5][CH2:6][S:22][CH3:4])[NH2:15])[OH:19])[OH:18] |
|