| Properties | Image |
|---|
| MNX_ID | MNXM168317 |
 |
| reference | sabiorkM:20760 |
| formula | C17H32N4O5S3 |
| global charge | 0 |
| mol weight | 468.667 |
| InChIKey | BOCWTHDHJPOLAY-UHFFFAOYSA-N |
| InChI | InChI=1S/C17H32N4O5S3/c1-27-7-4-11(18)15(23)19-10-14(22)20-12(5-8-28-2)16(24)21-13(17(25)26)6-9-29-3/h11-13H,4-10,18H2,1-3H3,(H,19,23)(H,20,22)(H,21,24)(H,25,26) |
| SMILES | CSCCC(N)C(O)=NCC(O)=NC(CCSC)C(O)=NC(CCSC)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H32N4O5S3/c1-27-7-4-11(18)15(23)19-10-14(22)20-12(5-8-28-2)16(24)21-13(17(25)26)6-9-29-3/h11-13H,4-10,18H2,1-3H3,(H,19,23)(H,20,22)(H,21,24)(H,25,26)/t11?,12?,13? |
 |
| SMILES (mnx) | [CH3:1][S:27][CH2:7][CH2:4][CH:11]([C:15](=[N:19][CH2:10][C:14](=[N:20][CH:12]([CH2:5][CH2:8][S:28][CH3:2])[C:16](=[N:21][CH:13]([CH2:6][CH2:9][S:29][CH3:3])[C:17](=[O:25])[OH:26])[OH:24])[OH:22])[OH:23])[NH2:18] |
|