| Properties | Image |
| MNX_ID | MNXM1122453 |
 |
| reference | chebi:159846 |
| formula | C14H28N4O4S2 |
| global charge | 0 |
| mol weight | 380.536 |
| InChIKey | NDSNUWJPZKTFAR-DCAQKATOSA-N |
| InChI | InChI=1S/C14H28N4O4S2/c1-24-7-5-10(14(21)22)17-13(20)11(8-23)18-12(19)9(16)4-2-3-6-15/h9-11,23H,2-8,15-16H2,1H3,(H,17,20)(H,18,19)(H,21,22)/t9-,10-,11-/m0/s1 |
| SMILES | CSCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCCN)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C14H28N4O4S2/c1-24-7-5-10(14(21)22)17-13(20)11(8-23)18-12(19)9(16)4-2-3-6-15/h9-11,23H,2-8,15-16H2,1H3,(H,17,20)(H,18,19)(H,21,22)/t9-,10-,11-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][S:24][CH2:7][CH2:5][C@@H:10]([C:14](=[O:21])[OH:22])[N:17]=[C:13]([C@H:11]([CH2:8][SH:23])[N:18]=[C:12]([C@H:9]([CH2:4][CH2:2][CH2:3][CH2:6][NH2:15])[NH2:16])[OH:19])[OH:20] |
|