| Properties | Image |
|---|
| MNX_ID | MNXM744675 |
 |
| reference | biggM:cysasnmet |
| formula | C12H22N4O5S2 |
| global charge | 0 |
| mol weight | 366.465 |
| InChIKey | SQJSYLDKQBZQTG-PRJMDXOYSA-N |
| InChI | InChI=1S/C12H22N4O5S2/c1-23-3-2-7(12(20)21)15-11(19)8(4-9(14)17)16-10(18)6(13)5-22/h6-8,22H,2-5,13H2,1H3,(H2,14,17)(H,15,19)(H,16,18)(H,20,21)/t6-,7-,8+/m1/s1 |
| SMILES | CSCC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](N)CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C12H22N4O5S2/c1-23-3-2-7(12(20)21)15-11(19)8(4-9(14)17)16-10(18)6(13)5-22/h6-8,22H,2-5,13H2,1H3,(H2,14,17)(H,15,19)(H,16,18)(H,20,21)/t6-,7-,8+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][S:23][CH2:3][CH2:2][C@H:7]([C:12](=[O:20])[OH:21])[N:15]=[C:11]([C@H:8]([CH2:4][C:9](=[NH:14])[OH:17])[N:16]=[C:10]([C@@H:6]([CH2:5][SH:22])[NH2:13])[OH:18])[OH:19] |
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