| Properties | Image |
|---|
| MNX_ID | MNXM1123707 |
 |
| reference | chebi:161109 |
| formula | C14H27N3O5S2 |
| global charge | 0 |
| mol weight | 381.52 |
| InChIKey | KYJHWKAMFISDJE-RCWTZXSCSA-N |
| InChI | InChI=1S/C14H27N3O5S2/c1-8(18)11(17-12(19)9(15)4-6-23-2)13(20)16-10(14(21)22)5-7-24-3/h8-11,18H,4-7,15H2,1-3H3,(H,16,20)(H,17,19)(H,21,22)/t8-,9+,10+,11+/m1/s1 |
| SMILES | CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCSC)[C@@H](C)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C14H27N3O5S2/c1-8(18)11(17-12(19)9(15)4-6-23-2)13(20)16-10(14(21)22)5-7-24-3/h8-11,18H,4-7,15H2,1-3H3,(H,16,20)(H,17,19)(H,21,22)/t8-,9+,10+,11+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:8]([C@@H:11]([C:13](=[N:16][C@@H:10]([CH2:5][CH2:7][S:24][CH3:3])[C:14](=[O:21])[OH:22])[OH:20])[N:17]=[C:12]([C@H:9]([CH2:4][CH2:6][S:23][CH3:2])[NH2:15])[OH:19])[OH:18] |
|