| Properties | Image |
|---|
| MNX_ID | MNXM1124051 |
 |
| reference | chebi:161453 |
| formula | C13H25N3O5S |
| global charge | 0 |
| mol weight | 335.426 |
| InChIKey | MRVSLWQRNWEROS-SVSWQMSJSA-N |
| InChI | InChI=1S/C13H25N3O5S/c1-4-6(2)9(15-11(18)8(14)5-22)12(19)16-10(7(3)17)13(20)21/h6-10,17,22H,4-5,14H2,1-3H3,(H,15,18)(H,16,19)(H,20,21)/t6-,7+,8-,9-,10-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@H](C(=O)O)[C@@H](C)O |
MNX internals
| InChI (mnx) | InChI=1/C13H25N3O5S/c1-4-6(2)9(15-11(18)8(14)5-22)12(19)16-10(7(3)17)13(20)21/h6-10,17,22H,4-5,14H2,1-3H3,(H,15,18)(H,16,19)(H,20,21)/t6-,7+,8-,9-,10-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][C@H:6]([CH3:2])[C@@H:9]([C:12](=[N:16][C@@H:10]([C@@H:7]([CH3:3])[OH:17])[C:13](=[O:20])[OH:21])[OH:19])[N:15]=[C:11]([C@H:8]([CH2:5][SH:22])[NH2:14])[OH:18] |
|